2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid

C13H16N2O3 — CID 113467363

IUPAC2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
SMILESCC1CC(NC(=O)Nc2ccccc2C(=O)O)C1
InChIInChI=1S/C13H16N2O3/c1-8-6-9(7-8)14-13(18)15-11-5-3-2-4-10(11)12(16)17/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyGKSODJDXWORJJK-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.30
Rot. Bonds3

About 2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid

2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid (PubChem CID 113467363) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
PubChem CID113467363
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
SMILESCC1CC(NC(=O)Nc2ccccc2C(=O)O)C1
InChIInChI=1S/C13H16N2O3/c1-8-6-9(7-8)14-13(18)15-11-5-3-2-4-10(11)12(16)17/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyGKSODJDXWORJJK-UHFFFAOYSA-N
XLogP2.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467374
2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid
CID 83034494
2-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzoic acid
CID 61182882
CID 170843062
CID 170843062
2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467378
2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63661272
2-[(1,1-dioxothian-3-yl)carbamoylamino]benzoic acid
CID 63923401
4-chloro-3-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467373
5-bromo-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548823
4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548882
4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077257
2-[[(3,5-dimethylcyclohexyl)amino]methyl]benzoic acid
CID 103254565

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid (CID 113467363) is 2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid is CC1CC(NC(=O)Nc2ccccc2C(=O)O)C1.
What is the InChIKey of 2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid?
The InChIKey is GKSODJDXWORJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-6-9(7-8)14-13(18)15-11-5-3-2-4-10(11)12(16)17/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid?
2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid has a molecular weight of 248.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 113467363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).