3-cyclopentaneamidobenzoic acid

3-cyclopentaneamidobenzoic acid

CAS: 915921-84-5

Formula: C13H15NO3

SMILES: OC(=O)C1=CC(NC(=O)C2CCCC2)=CC=C1

IUPAC: 3-cyclopentaneamidobenzoic acid

InChI: InChI=1S/C13H15NO3/c15-12(9-4-1-2-5-9)14-11-7-3-6-10(8-11)13(16)17/h3,6-9H,1-2,4-5H2,(H,14,15)(H,16,17)

Composition: C (66.94%), H (6.48%), N (6.00%), O (20.58%)

Molar Mass: 233.267

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	233.105193347
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ANRXMHUNVMNJAO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.78
Topological Polar Surface Area	66.4
Polarizability	24.19
Ring Count	2
Rotatable Bond Count	3

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