1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid

C17H23NO4 — CID 22112040

IUPAC1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C(C)C(=O)NC2(C(=O)O)CCCC2)c(C)c1
InChIInChI=1S/C17H23NO4/c1-11-10-13(22-3)6-7-14(11)12(2)15(19)18-17(16(20)21)8-4-5-9-17/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyLDZZXXOXJLZPNI-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.62
Rot. Bonds5

About 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid

1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 22112040) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID22112040
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C(C)C(=O)NC2(C(=O)O)CCCC2)c(C)c1
InChIInChI=1S/C17H23NO4/c1-11-10-13(22-3)6-7-14(11)12(2)15(19)18-17(16(20)21)8-4-5-9-17/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyLDZZXXOXJLZPNI-UHFFFAOYSA-N
XLogP2.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate
CID 22111960
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-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
1-[2-(2-methoxy-4-methylphenyl)propanoylamino]-3-methylcyclohexane-1-carboxylic acid
CID 22112051
2-[2-(4-methoxy-2-methylphenyl)propanoylamino]-2-methylpropanoic acid
CID 22111996
1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120684629
4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 22111951
4-tert-butyl-1-[2-(2-methoxy-4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 22112068
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 22327477
1-[amino-(4-methoxy-2-methylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070446

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid (CID 22112040) is 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid is COc1ccc(C(C)C(=O)NC2(C(=O)O)CCCC2)c(C)c1.
What is the InChIKey of 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is LDZZXXOXJLZPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11-10-13(22-3)6-7-14(11)12(2)15(19)18-17(16(20)21)8-4-5-9-17/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid?
1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 22112040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).