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1001353-87-2,MFCD11040193
Catalog No.:AA0000Z3
1,2-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) ester, (2S)- | 1001353-87-2
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Technical Information
Catalog Number:
AA0000Z3
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4,4-dimethyl-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS Number:
1001353-87-2
Molecular Formula:
C12H20NO4-
Molecular Weight:
242.2915
MDL Number:
MFCD11040193
IUPAC Name:
(2S)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-7-12(4,5)6-8(13)9(14)15/h8H,6-7H2,1-5H3,(H,14,15)/t8-/m0/s1
InChI Key:
ACHKRIQLSCPKKK-QMMMGPOBSA-N
SMILES:
[O-]C(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
1001353-87-2 
(S)-1-(tert-butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid 
CTK8C0130 
DTXSID30648616 
ACHKRIQLSCPKKK-QMMMGPOBSA-N 
ANW-64189 
MFCD11040193 
ZINC21303752 
AKOS015838360 
AKOS015919003 
AN-4935 
FCH3665599 
(2S)-1-[(tert-butoxy)carbonyl]-4,4-dimethylpyrrolidine-2-carboxylic acid 
OC-0690 
RP28581 
SB15950 
AJ-78460 
AS-37769 
BR-24856 
SC-82094 
AB0034340 
AX8031854 
ST2414536 
J-502354 
TL8007302 
TR-000046 
CS-0028286 
X8476 
S-7661 
1-(tert-Butoxycarbonyl)-4,4-dimethyl-L-proline 
423B866 
S11-0047 
(S)-N-Boc-4,4-dimethylpyrrolidine-2-carboxylic acid 
(S)-1-Boc-4,4-dimethyl-pyrrolidine-2-carboxylic acid 
(S)-N-BOC-4,4-DIMETHYL-PYRROLIDINE-2-CARBOXYLIC ACID 
(S)-1-(TERT-BUTOXYCARBONYL)-4,4-DIMETHYLPYRROLIDIN 
(2S)-1-(tert-butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid 
(S)-1-(TERT-BUTOXYCARBONYL)-4,4-DIMETHYLPYRROLIDINE-2-CARBOXYLIC ACID,95+% 
C12H21NO4 
138423-86-6 
-1- -4,4-dimethylpyrrolidine-2-carboxylicacid 
(S)-1-(tert-butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylicacid 
(S)-1-(N)-(Boc)-4,4-Dimethylpyrrolidine-2-carboxylic acid 
(2S)-1-tert-butoxycarbonyl-4,4-dimethyl-pyrrolidine-2-carboxylic acid 
AK-24856 
PubChem22629 
Boc-Pro(4,4-diMe)-OH 
4,4-Dimethyl-Boc-L-Pro-OH 
SCHEMBL2905427 
Literature
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