1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid

C14H19NO3 — CID 64513111

IUPAC1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid
SMILESCOc1cccc(NC2(C(=O)O)CCC(C)C2)c1
InChIInChI=1S/C14H19NO3/c1-10-6-7-14(9-10,13(16)17)15-11-4-3-5-12(8-11)18-2/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyIWMYOXGSWYMRGH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.75
Rot. Bonds4

About 1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid

1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid (PubChem CID 64513111) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid
PubChem CID64513111
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid
SMILESCOc1cccc(NC2(C(=O)O)CCC(C)C2)c1
InChIInChI=1S/C14H19NO3/c1-10-6-7-14(9-10,13(16)17)15-11-4-3-5-12(8-11)18-2/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyIWMYOXGSWYMRGH-UHFFFAOYSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyanilino)-3,4-dimethylcyclohexane-1-carboxylic acid
CID 64744281
1-(3-fluoroanilino)-3-methylcyclopentane-1-carboxylic acid
CID 64514036
1-(3-methoxyanilino)-3,3-dimethylcyclopentane-1-carboxylic acid
CID 80700013
3-methyl-1-(3-methylanilino)cyclohexane-1-carboxylic acid
CID 60993631
1-(4-methoxyanilino)-3-methylcyclopentane-1-carboxamide
CID 64516643
3-(3-methoxyanilino)-1,1-dioxothiane-3-carboxylic acid
CID 63910469
1-(3-methoxyanilino)-2-methylsulfonylcyclopentane-1-carboxylic acid
CID 65045078
1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile
CID 54887163
3-(3-methoxyanilino)-4-methylthiolane-3-carboxylic acid
CID 114285232
1-(3-fluoroanilino)-4-methylcycloheptane-1-carboxylic acid
CID 65084949
N-cyclopropyl-4-(3-methoxyanilino)piperidine-4-carboxamide
CID 155872355
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid (CID 64513111) is 1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid is COc1cccc(NC2(C(=O)O)CCC(C)C2)c1.
What is the InChIKey of 1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid?
The InChIKey is IWMYOXGSWYMRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-6-7-14(9-10,13(16)17)15-11-4-3-5-12(8-11)18-2/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid?
1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 64513111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).