2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid

C12H14N2O4 — CID 62416782

IUPAC2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)NC1CCC1
InChIInChI=1S/C12H14N2O4/c15-8-4-5-10(9(6-8)11(16)17)14-12(18)13-7-2-1-3-7/h4-7,15H,1-3H2,(H,16,17)(H2,13,14,18)
InChIKeyPOANCPOGLKOCBF-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.76
Rot. Bonds3

About 2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid

2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid (PubChem CID 62416782) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid
PubChem CID62416782
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)NC1CCC1
InChIInChI=1S/C12H14N2O4/c15-8-4-5-10(9(6-8)11(16)17)14-12(18)13-7-2-1-3-7/h4-7,15H,1-3H2,(H,16,17)(H2,13,14,18)
InChIKeyPOANCPOGLKOCBF-UHFFFAOYSA-N
XLogP1.76
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.76
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-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
CID 115412235
5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279157
5-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 61465254
5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634
3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid
CID 16777345
2-(1-cyclopropylethylcarbamoylamino)-5-hydroxybenzoic acid
CID 61405929
2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61405932
2-(2-cyclopropylpropanoylamino)-5-hydroxybenzoic acid
CID 83146824
4-amino-2-(cyclohexylcarbamoylamino)benzoic acid
CID 63116079
5-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 61223094
1-cyclobutyl-3-(2,4-dibromophenyl)urea
CID 115617878
5-(cyclobutylcarbamoylamino)-2-fluorobenzoic acid
CID 62415401

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid?
The IUPAC name of 2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid (CID 62416782) is 2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid.
What is the SMILES notation for 2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid?
The canonical SMILES for 2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid is O=C(Nc1ccc(O)cc1C(=O)O)NC1CCC1.
What is the InChIKey of 2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid?
The InChIKey is POANCPOGLKOCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-8-4-5-10(9(6-8)11(16)17)14-12(18)13-7-2-1-3-7/h4-7,15H,1-3H2,(H,16,17)(H2,13,14,18).
What are the key properties of 2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid?
2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid has a molecular weight of 250.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid is sourced from PubChem (CID 62416782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).