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5678-45-5,MFCD00187209
Catalog No.:AA003IS2
5678-45-5 | 3-Amino-3-(4-methoxyphenyl)propanoic acid
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1g
95%
in stock  
$43.00   $30.00
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5g
95%
in stock  
$158.00   $110.00
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10g
95%
in stock  
$272.00   $190.00
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25g
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$524.00   $367.00
  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IS2
Chemical Name:
3-Amino-3-(4-methoxyphenyl)propanoic acid
CAS Number:
5678-45-5
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD00187209
IUPAC Name:
3-amino-3-(4-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)
InChI Key:
NYTANCDDCQVQHG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(CC(=O)O)N
Properties
Computed Properties
 
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  

Synonyms
 
3-amino-3-(4-methoxyphenyl)propanoic acid 
5678-45-5 
BETA-(4-METHOXYPHENYL)-BETA-AMINOPROPIONIC ACID 
AR-1F1749 
CID585889 
(S)-3-amino-3-(4-methoxyphenyl)propanoic acid 
131690-56-7 
ACN-001811 
3-Amino-3-(4-methoxy-phenyl)-propionicacid 
A2532 
(R)-3-amino-3-(4-methoxyphenyl)propanoic acid 
(s)-3-amino-3-(4-methoxyphenyl)propionic acid 
131690-57-8 
(S)- 3-Amino-3-(4-methoxyphenyl)-propionic acid 
5721-12-0 
N-cyclopropyl-1-{[1-methyl-5-(pyrrolidin-1-ylcarbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxamide 
N/A 
(s)-3-(p-methoxyphenyl)-beta-alanine 
ZERO/001586 
AC1LBNRB 
PubChem13902 
PubChem24028 
ACMC-1AKYE 
Benzenepropanoic acid, b-amino-4-methoxy-, (bR)- 
Benzenepropanoic acid, b-amino-4-methoxy-, (bS)- 
3-Amino-3-(4-methoxyphenyl)propionic acid 
AC1Q5VAF 
ACMC-20a7x5 
ACMC-20a7x6 
AC1Q4A1A 
TimTec1_004269 
Oprea1_156707 
Oprea1_765698 
aminomethoxyphenylpropanoicacid 
KSC496O3N 
DL- -(p-Methoxyphenyl)alanine 
3-Amino-3-(4-methoxy-phenyl)-propionic acid 
SCHEMBL2452463 
CTK3J6736 
dl-beta-(p-methoxyphenyl)alanine 
KS-00000AGI 
DL-beta-(4-Methoxyphenyl)alanine 
HMS1546C01 
ACN-S002975 
ACT04401 
ALBB-006622 
BB_NC-02135 
dl-3-amino-3-(4-methoxy-phenyl)-propionic acid 
ZX-AN006279 
ZX-AT014405 
ANW-48031 
BBL005121 
MFCD00187209 
SBB001784 
STK391434 
AKOS000201346 
AKOS016043233 
AB04473 
3-(p-methoxyphenyl)-dl-beta-alanine 
AN-9838 
AS06756 
BBV-096430 
CM-1096 
MCULE-1449619305 
OR13342 
RP11514 
RTC-061041 
TRA0063317 
.beta.-Amino-p-methoxyhydrocinnamic acid 
NYTANCDDCQVQHG-UHFFFAOYSA-N 
AC-23773 
BAS 00122362 
BR-44701 
CC-14058 
SC-23815 
SY007346 
3-Amino-3-(4-methoxyphenyl)propionicAcid 
3-amino-3-(p-methoxyphenyl)propionic acid 
AB0025559 
AX8034115 
AK-43943 
DB-012380 
ST2417448 
ST4016354 
TC-061041 
3-amino-3-(4'-methoxyphenyl)propionic acid 
3-amino-3-(4-methoxyphenyl)-propionic acid 
4CH-023889 
BB 0249704 
EU-0066634 
FT-0630096 
EN300-22836 
W7043 
3-amino-3-(4'-methoxyphenyl) propionic acid 
MFCD00187209 (97%) 
3-Amino-3-(4-methoxy-phenyl)-propionic acid 
S-3468 
BETA-AMINO-4-METHOXYBENZENEPROPANOIC ACID 
3-Amino-3-(4-methoxyphenyl)propionic acid, 97% 
678A455 
7R-0624 
C-28388 
Q-102264 
SR-01000597124 
I01-2257 
I01-7427 
J-511578 
SR-01000597124-1 
Z166605432 
(RS)-BETA-AMINO-BETA-(4-METHOXYPHENYL)PROPIONIC ACID 
C10H13NO3 
(S)-beta-(p-methoxyphenyl)alanine 
-3-AMINO-3- -PROPIONICACID 
Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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