2-(propylcarbamoyl)cyclohexane-1-carboxylic acid

2-(propylcarbamoyl)cyclohexane-1-carboxylic acid

CAS: 545352-96-3

Formula: C11H19NO3

SMILES: CCCNC(=O)C1CCCCC1C(O)=O

IUPAC: 2-(propylcarbamoyl)cyclohexane-1-carboxylic acid

InChI: InChI=1/C11H19NO3/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)

Composition: C (61.95%), H (8.98%), N (6.57%), O (22.50%)

Molar Mass: 213.277

Atom Count: 34

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	213.136493476
Formal Charge	0
FSP3	0.82
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DUWRESTURQQSES-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.08
Topological Polar Surface Area	66.4
Polarizability	22.02
Ring Count	1
Rotatable Bond Count	4

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