(3R)-3-(cyclohexylformamido)-3-phenylpropanoic acid

(3R)-3-(cyclohexylformamido)-3-phenylpropanoic acid

CAS: 436088-46-9

Formula: C16H21NO3

SMILES: OC(=O)C[C@@H](NC(=O)C1CCCCC1)C1=CC=CC=C1

IUPAC: (3R)-3-(cyclohexylformamido)-3-phenylpropanoic acid

InChI: InChI=1S/C16H21NO3/c18-15(19)11-14(12-7-3-1-4-8-12)17-16(20)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,20)(H,18,19)/t14-/m1/s1

Composition: C (69.79%), H (7.69%), N (5.09%), O (17.43%)

Molar Mass: 275.348

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	275.15214354
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	UIHUXKARHPECCF-CQSZACIVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.63
Topological Polar Surface Area	66.4
Polarizability	29.73
Ring Count	2
Rotatable Bond Count	5

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