1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid

C13H15NO4 — CID 55034694

IUPAC1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1cccc(NC(=O)C2(C(=O)O)CCC2)c1
InChIInChI=1S/C13H15NO4/c1-18-10-5-2-4-9(8-10)14-11(15)13(12(16)17)6-3-7-13/h2,4-5,8H,3,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyUSUSBHIJSXJLNN-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.89
Rot. Bonds4

About 1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid

1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 55034694) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID55034694
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1cccc(NC(=O)C2(C(=O)O)CCC2)c1
InChIInChI=1S/C13H15NO4/c1-18-10-5-2-4-9(8-10)14-11(15)13(12(16)17)6-3-7-13/h2,4-5,8H,3,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyUSUSBHIJSXJLNN-UHFFFAOYSA-N
XLogP1.89
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972063
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981560
1-N-(4-chlorophenyl)-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982578
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
1-(2-methoxyphenyl)-N-(3-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439026
3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 4729422
1-[[3-(dimethylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 115378956
1-[[3-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 146134415
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
1-N'-(3-methoxyphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977779
1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979795

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 55034694) is 1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid is COc1cccc(NC(=O)C2(C(=O)O)CCC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is USUSBHIJSXJLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-18-10-5-2-4-9(8-10)14-11(15)13(12(16)17)6-3-7-13/h2,4-5,8H,3,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 55034694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).