2-(2-cyclobutylethylcarbamoyl)benzoic acid

C14H17NO3 — CID 113478591

IUPAC2-(2-cyclobutylethylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCCC1CCC1
InChIInChI=1S/C14H17NO3/c16-13(15-9-8-10-4-3-5-10)11-6-1-2-7-12(11)14(17)18/h1-2,6-7,10H,3-5,8-9H2,(H,15,16)(H,17,18)
InChIKeyOPFAJGLLUBWNNY-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.30
Rot. Bonds5

About 2-(2-cyclobutylethylcarbamoyl)benzoic acid

2-(2-cyclobutylethylcarbamoyl)benzoic acid (PubChem CID 113478591) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(2-cyclobutylethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(2-cyclobutylethylcarbamoyl)benzoic acid
PubChem CID113478591
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(2-cyclobutylethylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCCC1CCC1
InChIInChI=1S/C14H17NO3/c16-13(15-9-8-10-4-3-5-10)11-6-1-2-7-12(11)14(17)18/h1-2,6-7,10H,3-5,8-9H2,(H,15,16)(H,17,18)
InChIKeyOPFAJGLLUBWNNY-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopentylethyl)-1-hydroxynaphthalene-2-carboxamide
CID 63524506
2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide
CID 103855320
6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113479299
N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide
CID 114344475
N-(2-cyclobutylethyl)-1H-indole-7-carboxamide
CID 115687252
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
2-fluoro-N-(2-piperidin-4-ylethyl)benzamide
CID 54943614
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide
CID 115540134
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzamide
CID 46378988
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662231

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethylcarbamoyl)benzoic acid?
The IUPAC name of 2-(2-cyclobutylethylcarbamoyl)benzoic acid (CID 113478591) is 2-(2-cyclobutylethylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(2-cyclobutylethylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(2-cyclobutylethylcarbamoyl)benzoic acid is O=C(O)c1ccccc1C(=O)NCCC1CCC1.
What is the InChIKey of 2-(2-cyclobutylethylcarbamoyl)benzoic acid?
The InChIKey is OPFAJGLLUBWNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13(15-9-8-10-4-3-5-10)11-6-1-2-7-12(11)14(17)18/h1-2,6-7,10H,3-5,8-9H2,(H,15,16)(H,17,18).
What are the key properties of 2-(2-cyclobutylethylcarbamoyl)benzoic acid?
2-(2-cyclobutylethylcarbamoyl)benzoic acid has a molecular weight of 247.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethylcarbamoyl)benzoic acid is sourced from PubChem (CID 113478591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).