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

C15H19NO3 — CID 110466073

IUPAC2-[(4-cyclopentylbenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(C2CCCC2)cc1)C(=O)O
InChIInChI=1S/C15H19NO3/c1-10(15(18)19)16-14(17)13-8-6-12(7-9-13)11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyCHUFIRDZYDYAHM-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.55
Rot. Bonds4

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

2-[(4-cyclopentylbenzoyl)amino]propanoic acid (PubChem CID 110466073) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(4-cyclopentylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-cyclopentylbenzoyl)amino]propanoic acid
PubChem CID110466073
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[(4-cyclopentylbenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(C2CCCC2)cc1)C(=O)O
InChIInChI=1S/C15H19NO3/c1-10(15(18)19)16-14(17)13-8-6-12(7-9-13)11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H,16,17)(H,18,19)
InChIKeyCHUFIRDZYDYAHM-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-cyclohexylbenzoyl)amino]propanoic acid
CID 110466195
methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate
CID 110487402
4-cyclobutyl-N-propan-2-ylbenzamide
CID 174282086
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide
CID 52506120
2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide
CID 94282738
2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
CID 16769025
(E)-2-[(4-cyclobutylbenzoyl)amino]hex-4-enoic acid
CID 120694214
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851
2-[(4-cyclohexylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548745
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-4-cyclopropylbenzamide
CID 171631480

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentylbenzoyl)amino]propanoic acid?
The IUPAC name of 2-[(4-cyclopentylbenzoyl)amino]propanoic acid (CID 110466073) is 2-[(4-cyclopentylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-cyclopentylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-cyclopentylbenzoyl)amino]propanoic acid is CC(NC(=O)c1ccc(C2CCCC2)cc1)C(=O)O.
What is the InChIKey of 2-[(4-cyclopentylbenzoyl)amino]propanoic acid?
The InChIKey is CHUFIRDZYDYAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(15(18)19)16-14(17)13-8-6-12(7-9-13)11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-cyclopentylbenzoyl)amino]propanoic acid?
2-[(4-cyclopentylbenzoyl)amino]propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 110466073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).