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1330830-30-2 | 3-Pyrrolidinecarboxylic acid, 4-(3-pyridinyl)-, (3R,4S)-rel-
CAS No: 1330830-30-2 Catalog No: AG00147S MDL No:
Product Description
Catalog Number:
AG00147S
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-(3-pyridinyl)-, (3R,4S)-rel-
CAS Number:
1330830-30-2
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
IUPAC Name:
(3R,4S)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C10H12N2O2/c13-10(14)9-6-12-5-8(9)7-2-1-3-11-4-7/h1-4,8-9,12H,5-6H2,(H,13,14)/t8-,9+/m1/s1
InChI Key:
BKFWMNFJNGQFKR-BDAKNGLRSA-N
SMILES:
OC(=O)[C@H]1CNC[C@@H]1c1cccnc1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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