3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid

C17H23NO4 — CID 119237635

IUPAC3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
SMILESCOc1ccc(C2(C(=O)NCC(C)C(=O)O)CCCC2)cc1
InChIInChI=1S/C17H23NO4/c1-12(15(19)20)11-18-16(21)17(9-3-4-10-17)13-5-7-14(22-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyVXMMLYSCHCHGGY-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.34
Rot. Bonds6

About 3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid

3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid (PubChem CID 119237635) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
PubChem CID119237635
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
SMILESCOc1ccc(C2(C(=O)NCC(C)C(=O)O)CCCC2)cc1
InChIInChI=1S/C17H23NO4/c1-12(15(19)20)11-18-16(21)17(9-3-4-10-17)13-5-7-14(22-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyVXMMLYSCHCHGGY-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
1-(4-methoxyphenyl)-N-(2-pyridin-3-yloxypropyl)cyclopentane-1-carboxamide
CID 90649820
1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
CID 168737013
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 55526819
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
(2S)-3-(4-methoxyphenyl)-2-[(1-phenylcyclopentanecarbonyl)amino]propanoic acid
CID 54228911
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 100615641
3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
CID 119236921
3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 62675201

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid (CID 119237635) is 3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid is COc1ccc(C2(C(=O)NCC(C)C(=O)O)CCCC2)cc1.
What is the InChIKey of 3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid?
The InChIKey is VXMMLYSCHCHGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(15(19)20)11-18-16(21)17(9-3-4-10-17)13-5-7-14(22-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid?
3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid has a molecular weight of 305.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 119237635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).