(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid

(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid

CAS: 173340-19-7

Formula: C13H15NO3

SMILES: C[C@H](N1C[C@H](CC1=O)C(O)=O)C1=CC=CC=C1

IUPAC: (3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid

InChI: InChI=1S/C13H15NO3/c1-9(10-5-3-2-4-6-10)14-8-11(13(16)17)7-12(14)15/h2-6,9,11H,7-8H2,1H3,(H,16,17)/t9-,11-/m0/s1

Composition: C (66.94%), H (6.48%), N (6.00%), O (20.58%)

Molar Mass: 233.267

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	233.105193347
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CFGKWSDAMXTRHE-ONGXEEELSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.27
Topological Polar Surface Area	57.61
Polarizability	24.22
Ring Count	2
Rotatable Bond Count	3

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