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42013-20-7,MFCD00050991
Catalog No.:AA003HMP
42013-20-7 | 2-(2-Methylbenzamido)acetic acid
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1g
98%(HPLC)
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HMP
Chemical Name:
2-(2-Methylbenzamido)acetic acid
CAS Number:
42013-20-7
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD00050991
IUPAC Name:
2-[(2-methylbenzoyl)amino]acetic acid
InChI:
InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChI Key:
YOEBAVRJHRCKRE-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1ccccc1C
EC Number:
255-622-7
UNII:
J043BCI40Z
NSC Number:
163983
Properties
Computed Properties
 
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
2-methylhippuric acid 
o-methylhippuric acid 
2-[(2-Methylphenyl)Formamido]Acetic Acid 
UNII-J043BCI40Z 
Glycine, N-(2-methylbenzoyl)- 
N-(o-Toluoyl)-glycine 
2-Methyl Hippuric Acid 
NSC 163983 
MLS001002411 
J043BCI40Z 
CHEBI:68455 
SMR000368956 
ortho-methylhippuric acid 
N-[(2-methylphenyl)carbonyl]glycine 
EINECS 255-622-7 
PubChem1906 
ACMC-209jmt 
Opera_ID_915 
ortho-methylhippuric acid 
N-(Methylbenzoyl)glycine 
AC1Q2EML 
AC1Q5FGT 
N-(methylbenzoyl)-Glycine 
2-Methylhippuric acid 
AC1L3MH7 
Oprea1_321487 
Glycine, N-(methylbenzoyl)- 
N-(2-methylbenzoyl)-Glycine 
2-Methylhippuric acid, 98% 
CHEMBL457228 
SCHEMBL1285567 
CTK2F5249 
DTXSID60194818 
YOEBAVRJHRCKRE-UHFFFAOYSA-N 
42013-20-7 
HMS1755D21 
HMS2688M04 
ZINC389513 
5091AH 
ANW-29715 
BBL036195 
MFCD00050991 
NSC163983 
STL483031 
AKOS000264575 
o-Toluric acid 
[(2-Methylbenzoyl)amino]acetic acid # 
2-[(2-methylbenzoyl)amino]acetic acid 
CS-W015776 
HY-W015060 
MCULE-6971330465 
NE37060 
NSC-163983 
KS-0000136L 
Glycine, N-(2-methylbenzoyl)- (9CI) 
NCGC00246096-01 
N-(o-Toluoyl)glycine 
AS-10313 
DB-025911 
TC-118460 
FT-0613051 
ST50405491 
2-[(2-methylphenyl)carbonylamino]acetic acid 
I01-17729 
Z56983120 
66940-32-7 
InChI=1/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13 
N-(2-Methylbenzoyl)glycine 
C10H11NO3 
CID91637 
AR-1J8118 
C10-H11-N-O3 
T0719 
M-3778 
68186-32-3 
o-Methylhippuric acid 
2-(2-Methylbenzamido)acetic acid 
Literature

Title: Uremic toxins inhibit transport by breast cancer resistance protein and multidrug resistance protein 4 at clinically relevant concentrations.

Journal: PloS one 20110101

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Biochemical characterization of bovine plasma thrombin-activatable fibrinolysis inhibitor (TAFI).

Journal: BMC biochemistry 20090101

Title: Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM).

Journal: Bioorganic & medicinal chemistry 20081201

Title: Clinical applications of urinary organic acids. Part I: Detoxification markers.

Journal: Alternative medicine review : a journal of clinical therapeutic 20080901

Title: [DNA damage assessment and biological monitoring of occupational exposure to organic solvents, 2006].

Journal: Biomedica : revista del Instituto Nacional de Salud 20080301

Title: Quantification of urinary zwitterionic organic acids using weak-anion exchange chromatography with tandem MS detection.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20070401

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Influence of sodium benzoate on the metabolism of o-xylene in the rat.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20050501

Title: Modified method for determination of hippuric acid and methylhippuric acid in urine by gas chromatography.

Journal: Journal of chromatography. B, Biomedical sciences and applications 20010210

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