1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid

1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid

CAS: 304859-16-3

Formula: C12H19NO3

SMILES: OC(=O)C1CN(CC2CCCCC2)C(=O)C1

IUPAC: 1-(cyclohexylmethyl)-5-oxopyrrolidine-3-carboxylic acid

InChI: InChI=1/C12H19NO3/c14-11-6-10(12(15)16)8-13(11)7-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,15,16)

Composition: C (63.98%), H (8.50%), N (6.22%), O (21.30%)

Molar Mass: 225.288

Atom Count: 35

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	225.136493476
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IMKQUGUDMBOQPK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.99
Topological Polar Surface Area	57.61
Polarizability	23.14
Ring Count	2
Rotatable Bond Count	3

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