3-{[(benzyloxy)carbonyl]amino}cyclohexane-1-carboxylic acid

3-{[(benzyloxy)carbonyl]amino}cyclohexane-1-carboxylic acid

CAS: 952616-39-6

Formula: C15H19NO4

SMILES: OC(=O)C1CCCC(C1)NC(=O)OCC1=CC=CC=C1

IUPAC: 3-{[(benzyloxy)carbonyl]amino}cyclohexane-1-carboxylic acid

InChI: InChI=1/C15H19NO4/c17-14(18)12-7-4-8-13(9-12)16-15(19)20-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)

Composition: C (64.97%), H (6.91%), N (5.05%), O (23.08%)

Molar Mass: 277.32

Atom Count: 39

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	277.131408096
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	LTEORMGXUMWZCU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.85
Topological Polar Surface Area	75.63
Polarizability	28.61
Ring Count	2
Rotatable Bond Count	5

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