methyl (3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate

methyl (3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate

CAS: 146348-14-3

Formula: C14H17NO3

SMILES: COC(=O)[C@@H]1CN([C@@H](C)C2=CC=CC=C2)C(=O)C1

IUPAC: methyl (3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate

InChI: InChI=1S/C14H17NO3/c1-10(11-6-4-3-5-7-11)15-9-12(8-13(15)16)14(17)18-2/h3-7,10,12H,8-9H2,1-2H3/t10-,12-/m0/s1

Composition: C (68.00%), H (6.93%), N (5.66%), O (19.41%)

Molar Mass: 247.294

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	247.120843411
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BENQIPNJLDAXAT-JQWIXIFHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.04
Topological Polar Surface Area	46.61
Polarizability	26.31
Ring Count	2
Rotatable Bond Count	4

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