1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid

C17H23NO4 — CID 120684629

IUPAC1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
SMILESCCC(C(=O)NC1(C(=O)O)CCCC1)c1ccc(OC)cc1
InChIInChI=1S/C17H23NO4/c1-3-14(12-6-8-13(22-2)9-7-12)15(19)18-17(16(20)21)10-4-5-11-17/h6-9,14H,3-5,10-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRDWWVWVYTDJEAE-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.70
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid

1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120684629) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
PubChem CID120684629
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
SMILESCCC(C(=O)NC1(C(=O)O)CCCC1)c1ccc(OC)cc1
InChIInChI=1S/C17H23NO4/c1-3-14(12-6-8-13(22-2)9-7-12)15(19)18-17(16(20)21)10-4-5-11-17/h6-9,14H,3-5,10-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRDWWVWVYTDJEAE-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 118779854
1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81164171
1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate
CID 22327445
1-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]cyclobutane-1-carboxylic acid
CID 81157954
cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120690555
4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 22111951
1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 22112040
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
2-[2-(4-methoxyphenyl)butanoylamino]-3-methylpentanoic acid
CID 120686644
2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid
CID 120686275

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid (CID 120684629) is 1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid is CCC(C(=O)NC1(C(=O)O)CCCC1)c1ccc(OC)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is RDWWVWVYTDJEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-3-14(12-6-8-13(22-2)9-7-12)15(19)18-17(16(20)21)10-4-5-11-17/h6-9,14H,3-5,10-11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid?
1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120684629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).