1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid

C13H15NO4 — CID 107737508

IUPAC1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)C1(C(=O)O)CCC1)c1cccc(O)c1
InChIInChI=1S/C13H15NO4/c1-14(9-4-2-5-10(15)8-9)11(16)13(12(17)18)6-3-7-13/h2,4-5,8,15H,3,6-7H2,1H3,(H,17,18)
InChIKeyYBOOQBRDWLCFLY-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.61
Rot. Bonds3

About 1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid

1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 107737508) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID107737508
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)C1(C(=O)O)CCC1)c1cccc(O)c1
InChIInChI=1S/C13H15NO4/c1-14(9-4-2-5-10(15)8-9)11(16)13(12(17)18)6-3-7-13/h2,4-5,8,15H,3,6-7H2,1H3,(H,17,18)
InChIKeyYBOOQBRDWLCFLY-UHFFFAOYSA-N
XLogP1.61
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 107737300
N-(3-hydroxyphenyl)-N,2-dimethyloxolane-2-carboxamide
CID 107735719
1-[(3,4-dimethylphenyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181847
2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107734828
1-[methyl-(2-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62097503
1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097338
2-[1-[[[(3-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 107737252
1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097334
1-[(2,5-difluorophenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 115183843
1-[2-(3-hydroxy-N-methylanilino)ethyl]cyclopropane-1-carboxylic acid
CID 84797407
1-[[3-(dimethylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 115378956

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 107737508) is 1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid is CN(C(=O)C1(C(=O)O)CCC1)c1cccc(O)c1.
What is the InChIKey of 1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is YBOOQBRDWLCFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-14(9-4-2-5-10(15)8-9)11(16)13(12(17)18)6-3-7-13/h2,4-5,8,15H,3,6-7H2,1H3,(H,17,18).
What are the key properties of 1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid?
1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 107737508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).