2-[(4-cyclohexylbenzoyl)amino]propanoic acid

C16H21NO3 — CID 110466195

IUPAC2-[(4-cyclohexylbenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)O
InChIInChI=1S/C16H21NO3/c1-11(16(19)20)17-15(18)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyJCYPNUBPEJAMKZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.94
Rot. Bonds4

About 2-[(4-cyclohexylbenzoyl)amino]propanoic acid

2-[(4-cyclohexylbenzoyl)amino]propanoic acid (PubChem CID 110466195) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(4-cyclohexylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-cyclohexylbenzoyl)amino]propanoic acid
PubChem CID110466195
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[(4-cyclohexylbenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)O
InChIInChI=1S/C16H21NO3/c1-11(16(19)20)17-15(18)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyJCYPNUBPEJAMKZ-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-cyclopentylbenzoyl)amino]propanoic acid
CID 110466073
methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate
CID 110487402
4-cyclobutyl-N-propan-2-ylbenzamide
CID 174282086
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide
CID 52506120
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide
CID 94282738
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851
2-[(4-cyclohexylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548745
2-[(4-cyclohexylbenzoyl)amino]acetic acid
CID 82485147
2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
CID 16769025
N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide
CID 119995934

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexylbenzoyl)amino]propanoic acid?
The IUPAC name of 2-[(4-cyclohexylbenzoyl)amino]propanoic acid (CID 110466195) is 2-[(4-cyclohexylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-cyclohexylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-cyclohexylbenzoyl)amino]propanoic acid is CC(NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)O.
What is the InChIKey of 2-[(4-cyclohexylbenzoyl)amino]propanoic acid?
The InChIKey is JCYPNUBPEJAMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(16(19)20)17-15(18)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-cyclohexylbenzoyl)amino]propanoic acid?
2-[(4-cyclohexylbenzoyl)amino]propanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 110466195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).