(3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate

C16H20NO3- — CID 8022396

IUPAC(3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate
SMILESO=C([O-])C[C@@H](NC(=O)C1CCCCC1)c1ccccc1
InChIInChI=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)/p-1/t14-/m1/s1
InChIKeyUIHUXKARHPECCF-CQSZACIVSA-M
MW274.34 g/mol
LogP1.56
Rot. Bonds5

About (3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate

(3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate (PubChem CID 8022396) has the molecular formula C16H20NO3- and a molecular weight of 274.34 g/mol. Its IUPAC name is (3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name(3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate
PubChem CID8022396
Molecular FormulaC16H20NO3-
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name(3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate
SMILESO=C([O-])C[C@@H](NC(=O)C1CCCCC1)c1ccccc1
InChIInChI=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)/p-1/t14-/m1/s1
InChIKeyUIHUXKARHPECCF-CQSZACIVSA-M
XLogP1.56
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoate
CID 6926645
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
3-(cyclooctanecarbonylamino)-3-(4-fluorophenyl)propanoic acid
CID 120513053
(3S)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoic acid
CID 718076
N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide
CID 114311037
3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid
CID 45431108
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119314809
N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-4-carboxamide
CID 103951345
3-(cyclohexanecarbonylamino)-3-(2-fluorophenyl)propanoic acid
CID 166313098

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate?
The IUPAC name of (3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate (CID 8022396) is (3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate.
What is the SMILES notation for (3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate?
The canonical SMILES for (3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate is O=C([O-])C[C@@H](NC(=O)C1CCCCC1)c1ccccc1.
What is the InChIKey of (3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate?
The InChIKey is UIHUXKARHPECCF-CQSZACIVSA-M. The full InChI is 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)/p-1/t14-/m1/s1.
What are the key properties of (3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate?
(3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate has a molecular weight of 274.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclohexanecarbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 8022396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).