3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid

C17H23NO3 — CID 119221631

IUPAC3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H23NO3/c1-12(11-16(19)20)18-17(21)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyRXZGSQHENAKNLB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.94
Rot. Bonds5

About 3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid

3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid (PubChem CID 119221631) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid
PubChem CID119221631
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H23NO3/c1-12(11-16(19)20)18-17(21)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyRXZGSQHENAKNLB-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-phenylcyclohexanecarbonyl)amino]propanoic acid
CID 119225869
N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119996102
2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid
CID 119214109
N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119615242
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119607229
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
CID 95376601
3-(piperidine-4-carbonylamino)butanoic acid
CID 61161192
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 59422599
3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid
CID 119221067

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid?
The IUPAC name of 3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid (CID 119221631) is 3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid?
The InChIKey is RXZGSQHENAKNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(11-16(19)20)18-17(21)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid?
3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 119221631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).