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102329-71-5 | 2-Pyridinecarboxylic acid, 5-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)-3-pyrrolidinyl]-
CAS No: 102329-71-5 Catalog No: AG00076U MDL No:
Product Description
Catalog Number:
AG00076U
Chemical Name:
2-Pyridinecarboxylic acid, 5-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)-3-pyrrolidinyl]-
CAS Number:
102329-71-5
Molecular Formula:
C13H14N2O6
Molecular Weight:
294.2601
IUPAC Name:
5-[(3S,4S,5S)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]pyridine-2-carboxylic acid
InChI:
InChI=1S/C13H14N2O6/c16-10(17)3-7-8(5-15-11(7)13(20)21)6-1-2-9(12(18)19)14-4-6/h1-2,4,7-8,11,15H,3,5H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8+,11-/m0/s1
InChI Key:
GOUSHYKCXZKVEY-RNSXUZJQSA-N
SMILES:
OC(=O)C[C@@H]1[C@H](NC[C@@H]1c1ccc(nc1)C(=O)O)C(=O)O
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
294.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
294.263g/mol
Monoisotopic Mass:
294.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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