2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid

C13H16N2O4 — CID 113467378

IUPAC2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
SMILESCC1CC(NC(=O)Nc2ccc(O)c(C(=O)O)c2)C1
InChIInChI=1S/C13H16N2O4/c1-7-4-9(5-7)15-13(19)14-8-2-3-11(16)10(6-8)12(17)18/h2-3,6-7,9,16H,4-5H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyBTFWFHCUANCZJD-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.01
Rot. Bonds3

About 2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid

2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid (PubChem CID 113467378) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
PubChem CID113467378
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
SMILESCC1CC(NC(=O)Nc2ccc(O)c(C(=O)O)c2)C1
InChIInChI=1S/C13H16N2O4/c1-7-4-9(5-7)15-13(19)14-8-2-3-11(16)10(6-8)12(17)18/h2-3,6-7,9,16H,4-5H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyBTFWFHCUANCZJD-UHFFFAOYSA-N
XLogP2.01
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 62360010
2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548831
2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824292
2-fluoro-5-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61185098
2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467363
5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 108804438
2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid
CID 154746397
2-hydroxy-5-(thiane-2-carbonylamino)benzoic acid
CID 80593678
N-(3,5-dimethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723193
2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid
CID 103561486
5-(cyclobutylcarbamoylamino)-2-fluorobenzoic acid
CID 62415401
5-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybenzoic acid
CID 104829215

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid (CID 113467378) is 2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid is CC1CC(NC(=O)Nc2ccc(O)c(C(=O)O)c2)C1.
What is the InChIKey of 2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid?
The InChIKey is BTFWFHCUANCZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-7-4-9(5-7)15-13(19)14-8-2-3-11(16)10(6-8)12(17)18/h2-3,6-7,9,16H,4-5H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid?
2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid has a molecular weight of 264.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 113467378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).