1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid

C14H17NO4 — CID 81158397

IUPAC1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid
SMILESCOc1cc(C(=O)NC2(C(=O)O)CCC2)ccc1C
InChIInChI=1S/C14H17NO4/c1-9-4-5-10(8-11(9)19-2)12(16)15-14(13(17)18)6-3-7-14/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyDUMRKRLAHHLDCO-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.74
Rot. Bonds4

About 1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid

1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81158397) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81158397
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid
SMILESCOc1cc(C(=O)NC2(C(=O)O)CCC2)ccc1C
InChIInChI=1S/C14H17NO4/c1-9-4-5-10(8-11(9)19-2)12(16)15-14(13(17)18)6-3-7-14/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyDUMRKRLAHHLDCO-UHFFFAOYSA-N
XLogP1.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methoxy-4-methylbenzoyl)amino]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-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64889609
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide
CID 62516961
1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
1-[(4-methoxy-3-nitrobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81163964
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158312
1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 106752503
1-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120515028
1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158516
N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxy-4-methylbenzamide
CID 114315089

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid (CID 81158397) is 1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid is COc1cc(C(=O)NC2(C(=O)O)CCC2)ccc1C.
What is the InChIKey of 1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is DUMRKRLAHHLDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-4-5-10(8-11(9)19-2)12(16)15-14(13(17)18)6-3-7-14/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid?
1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).