4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid

C17H23NO3 — CID 119170628

IUPAC4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
SMILESCc1cccc(C2(C(=O)NCCCC(=O)O)CCCC2)c1
InChIInChI=1S/C17H23NO3/c1-13-6-4-7-14(12-13)17(9-2-3-10-17)16(21)18-11-5-8-15(19)20/h4,6-7,12H,2-3,5,8-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyKOPDINVTNLBMPB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.79
Rot. Bonds6

About 4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid

4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid (PubChem CID 119170628) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
PubChem CID119170628
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
SMILESCc1cccc(C2(C(=O)NCCCC(=O)O)CCCC2)c1
InChIInChI=1S/C17H23NO3/c1-13-6-4-7-14(12-13)17(9-2-3-10-17)16(21)18-11-5-8-15(19)20/h4,6-7,12H,2-3,5,8-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyKOPDINVTNLBMPB-UHFFFAOYSA-N
XLogP2.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid
CID 43355005
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 119507604
5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 62032503
N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 113238634
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119393940
1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449997
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 65109762
3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid
CID 119177258
4-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119352741
N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 103876725
2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid
CID 119246489

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid?
The IUPAC name of 4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid (CID 119170628) is 4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid is Cc1cccc(C2(C(=O)NCCCC(=O)O)CCCC2)c1.
What is the InChIKey of 4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid?
The InChIKey is KOPDINVTNLBMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13-6-4-7-14(12-13)17(9-2-3-10-17)16(21)18-11-5-8-15(19)20/h4,6-7,12H,2-3,5,8-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid?
4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid is sourced from PubChem (CID 119170628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).