5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid

C14H18N2O4 — CID 63279157

IUPAC5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
SMILESCC1CCCC1NC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-8-3-2-4-11(8)15-14(20)16-12-6-5-9(17)7-10(12)13(18)19/h5-8,11,17H,2-4H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyMNHJTUDXAOBZKX-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.40
Rot. Bonds3

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

5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid (PubChem CID 63279157) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
PubChem CID63279157
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
SMILESCC1CCCC1NC(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-8-3-2-4-11(8)15-14(20)16-12-6-5-9(17)7-10(12)13(18)19/h5-8,11,17H,2-4H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyMNHJTUDXAOBZKX-UHFFFAOYSA-N
XLogP2.40
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.40
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-hydroxybenzoic acid
CID 62416782
2-methyl-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279678
4-bromo-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 107814156
1-(2,4-dimethylphenyl)-3-(2-methylcyclohexyl)urea
CID 17265372
2-amino-5-hydroxy-N-(2-methylcyclopentyl)benzamide
CID 107075272
2,3-dimethyl-5-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279593
5-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 61465254
4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61190333
5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 61406284
2-(1-cyclopropylethylcarbamoylamino)-5-hydroxybenzoic acid
CID 61405929
2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
CID 115412235
2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61405932

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid (CID 63279157) is 5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid is CC1CCCC1NC(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid?
The InChIKey is MNHJTUDXAOBZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-3-2-4-11(8)15-14(20)16-12-6-5-9(17)7-10(12)13(18)19/h5-8,11,17H,2-4H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid?
5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 63279157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).