2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid

C15H19NO3 — CID 107397528

IUPAC2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
SMILESCCN(CC1CCC1)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H19NO3/c1-2-16(10-11-6-5-7-11)14(17)12-8-3-4-9-13(12)15(18)19/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,18,19)
InChIKeyFDPQQMJJJXVSNF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.65
Rot. Bonds5

About 2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid

2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid (PubChem CID 107397528) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
PubChem CID107397528
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
SMILESCCN(CC1CCC1)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H19NO3/c1-2-16(10-11-6-5-7-11)14(17)12-8-3-4-9-13(12)15(18)19/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,18,19)
InChIKeyFDPQQMJJJXVSNF-UHFFFAOYSA-N
XLogP2.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic 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

2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid
CID 107400204
N-(cyclobutylmethyl)-N-ethyl-2-(propan-2-ylamino)benzamide
CID 107400011
4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244404
2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60662044
N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide
CID 107399084
N-(cyclopropylmethyl)-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82829503
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-phenylacetamide
CID 107398345
2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-hydroxybenzamide
CID 107399082
2-[cyclobutylmethyl(ethyl)amino]-3-methylbenzoic acid
CID 107402214
2-[[2-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119185074
2-[cyclopentylmethyl(methyl)amino]benzoic acid
CID 63632821

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid (CID 107397528) is 2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid is CCN(CC1CCC1)C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid?
The InChIKey is FDPQQMJJJXVSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-16(10-11-6-5-7-11)14(17)12-8-3-4-9-13(12)15(18)19/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,18,19).
What are the key properties of 2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid?
2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid is sourced from PubChem (CID 107397528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).