ethyl 2-{[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]formamido}acetate

ethyl 2-{[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]formamido}acetate

CAS: 157115-85-0

Formula: C17H22N2O4

SMILES: CCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CC1=CC=CC=C1

IUPAC: ethyl 2-{[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]formamido}acetate

InChI: InChI=1S/C17H22N2O4/c1-2-23-16(21)12-18-17(22)14-9-6-10-19(14)15(20)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,22)/t14-/m0/s1

Composition: C (64.13%), H (6.97%), N (8.80%), O (20.10%)

Molar Mass: 318.373

Atom Count: 45

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	318.157957196
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PJNSMUBMSNAEEN-AWEZNQCLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.67
Topological Polar Surface Area	75.71
Polarizability	33.07
Ring Count	2
Rotatable Bond Count	7

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