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(2S)-4-cyclohexyl-1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid

(2S)-4-cyclohexyl-1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid

CAS: 149760-14-5

Formula: C16H25NO4

SMILES: CCC(=O)CC(=O)N1CC(C[C@H]1C(O)=O)C1CCCCC1

IUPAC: (2S)-4-cyclohexyl-1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C16H25NO4/c1-2-13(18)9-15(19)17-10-12(8-14(17)16(20)21)11-6-4-3-5-7-11/h11-12,14H,2-10H2,1H3,(H,20,21)/t12?,14-/m1/s1

Composition: C (65.06%), H (8.53%), N (4.74%), O (21.67%)

Molar Mass: 295.379

Atom Count: 46

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 295.178358289
Formal Charge 0
FSP3 0.81
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey VJUXKOAKXDWKSB-PYMCNQPYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.77
Topological Polar Surface Area 74.68
Polarizability 30.58
Ring Count 2
Rotatable Bond Count 5

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