1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid

C15H19NO3 — CID 62097338

IUPAC1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(N(C)C(=O)C2(C(=O)O)CCC2)c(C)c1
InChIInChI=1S/C15H19NO3/c1-10-5-6-12(11(2)9-10)16(3)13(17)15(14(18)19)7-4-8-15/h5-6,9H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyWQZPFWGECZXIMT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.52
Rot. Bonds3

About 1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid

1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62097338) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62097338
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(N(C)C(=O)C2(C(=O)O)CCC2)c(C)c1
InChIInChI=1S/C15H19NO3/c1-10-5-6-12(11(2)9-10)16(3)13(17)15(14(18)19)7-4-8-15/h5-6,9H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyWQZPFWGECZXIMT-UHFFFAOYSA-N
XLogP2.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2,4-dimethylphenyl)-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

1-[methyl-(2-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62097503
1-[(2,5-dimethylphenyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181848
1-[(2,5-difluorophenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 115183843
1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097334
1-[(N,2,4-trimethylanilino)methyl]cyclohexane-1-carboxylic acid
CID 63495824
1-(2,5-dimethylbenzoyl)cyclobutane-1-carboxylic acid
CID 116921810
N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115183981
1-[(3-hydroxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 107737508
1-[methyl-[(4-methylphenyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 62095554
2-[(2,4-dimethylphenyl)-methylcarbamoyl]-3-methylbutanoic acid
CID 115186176
1-[(3,4-dimethylphenyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181847
(2R)-2-(N,2,4-trimethylanilino)propanoic acid
CID 124508497

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 62097338) is 1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid is Cc1ccc(N(C)C(=O)C2(C(=O)O)CCC2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is WQZPFWGECZXIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-5-6-12(11(2)9-10)16(3)13(17)15(14(18)19)7-4-8-15/h5-6,9H,4,7-8H2,1-3H3,(H,18,19).
What are the key properties of 1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid?
1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62097338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).