3-[(3-methylcyclobutyl)carbamoyl]benzoic acid

C13H15NO3 — CID 115910449

IUPAC3-[(3-methylcyclobutyl)carbamoyl]benzoic acid
SMILESCC1CC(NC(=O)c2cccc(C(=O)O)c2)C1
InChIInChI=1S/C13H15NO3/c1-8-5-11(6-8)14-12(15)9-3-2-4-10(7-9)13(16)17/h2-4,7-8,11H,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyPYEJVNPXOATURK-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.91
Rot. Bonds3

About 3-[(3-methylcyclobutyl)carbamoyl]benzoic acid

3-[(3-methylcyclobutyl)carbamoyl]benzoic acid (PubChem CID 115910449) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[(3-methylcyclobutyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(3-methylcyclobutyl)carbamoyl]benzoic acid
PubChem CID115910449
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-[(3-methylcyclobutyl)carbamoyl]benzoic acid
SMILESCC1CC(NC(=O)c2cccc(C(=O)O)c2)C1
InChIInChI=1S/C13H15NO3/c1-8-5-11(6-8)14-12(15)9-3-2-4-10(7-9)13(16)17/h2-4,7-8,11H,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyPYEJVNPXOATURK-UHFFFAOYSA-N
XLogP1.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733610
3-[(3,4-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 64742565
N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide
CID 77054227
3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid
CID 167891040
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid
CID 115910448
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 64722974
3-hydroxy-N-(5-methylpiperidin-3-yl)benzamide
CID 107585048
3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide
CID 103842108
3-[(5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 114156972

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylcyclobutyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[(3-methylcyclobutyl)carbamoyl]benzoic acid (CID 115910449) is 3-[(3-methylcyclobutyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[(3-methylcyclobutyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[(3-methylcyclobutyl)carbamoyl]benzoic acid is CC1CC(NC(=O)c2cccc(C(=O)O)c2)C1.
What is the InChIKey of 3-[(3-methylcyclobutyl)carbamoyl]benzoic acid?
The InChIKey is PYEJVNPXOATURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-5-11(6-8)14-12(15)9-3-2-4-10(7-9)13(16)17/h2-4,7-8,11H,5-6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(3-methylcyclobutyl)carbamoyl]benzoic acid?
3-[(3-methylcyclobutyl)carbamoyl]benzoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclobutyl)carbamoyl]benzoic acid is sourced from PubChem (CID 115910449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).