(2S)-1-[(2S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile

(2S)-1-[(2S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile

CAS: 796874-99-2

Formula: C20H25N3O2

SMILES: O=C(CCCC1=CC=CC=C1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N

IUPAC: (2S)-1-[(2S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile

InChI: InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1

Composition: C (70.77%), H (7.42%), N (12.38%), O (9.43%)

Molar Mass: 339.439

Atom Count: 50

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	339.194677057
Formal Charge	0
FSP3	0.55
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SPXFAUXQZWJGCJ-ROUUACIJSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.52
Topological Polar Surface Area	64.41
Polarizability	36.91
Ring Count	3
Rotatable Bond Count	5

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