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132785-33-2 | 3-Pyrrolidineacetic acid, 2-carboxy-4-(2-methoxyphenyl)-, (2S,3S,4S)-
CAS No: 132785-33-2 Catalog No: AG00115H MDL No:
Product Description
Catalog Number:
AG00115H
Chemical Name:
3-Pyrrolidineacetic acid, 2-carboxy-4-(2-methoxyphenyl)-, (2S,3S,4S)-
CAS Number:
132785-33-2
Molecular Formula:
C14H17NO5
Molecular Weight:
279.2885
IUPAC Name:
(2S,3S,4S)-3-(carboxymethyl)-4-(2-methoxyphenyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C14H17NO5/c1-20-11-5-3-2-4-8(11)10-7-15-13(14(18)19)9(10)6-12(16)17/h2-5,9-10,13,15H,6-7H2,1H3,(H,16,17)(H,18,19)/t9-,10+,13-/m0/s1
InChI Key:
RPYRLXFYICBMOZ-CWSCBRNRSA-N
SMILES:
COc1ccccc1[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
279.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
279.292g/mol
Monoisotopic Mass:
279.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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