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

C14H18N2O5 — CID 62360010

IUPAC2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)NC1CCCCC1O
InChIInChI=1S/C14H18N2O5/c17-11-6-5-8(7-9(11)13(19)20)15-14(21)16-10-3-1-2-4-12(10)18/h5-7,10,12,17-18H,1-4H2,(H,19,20)(H2,15,16,21)
InChIKeyIUQJUEVYKMZHTJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.52
Rot. Bonds3

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

2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid (PubChem CID 62360010) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
PubChem CID62360010
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)NC1CCCCC1O
InChIInChI=1S/C14H18N2O5/c17-11-6-5-8(7-9(11)13(19)20)15-14(21)16-10-3-1-2-4-12(10)18/h5-7,10,12,17-18H,1-4H2,(H,19,20)(H2,15,16,21)
InChIKeyIUQJUEVYKMZHTJ-UHFFFAOYSA-N
XLogP1.52
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 107796245
2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467378
2-hydroxy-5-(thiane-2-carbonylamino)benzoic acid
CID 80593678
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 62358546
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid
CID 107223856
1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
CID 40653337
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
1-(2-hydroxycyclohexyl)-3-(3,4,5-trifluorophenyl)urea
CID 111459001
1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 94414975
1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea
CID 110923455
1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea
CID 166286364

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid (CID 62360010) is 2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid is O=C(Nc1ccc(O)c(C(=O)O)c1)NC1CCCCC1O.
What is the InChIKey of 2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid?
The InChIKey is IUQJUEVYKMZHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-11-6-5-8(7-9(11)13(19)20)15-14(21)16-10-3-1-2-4-12(10)18/h5-7,10,12,17-18H,1-4H2,(H,19,20)(H2,15,16,21).
What are the key properties of 2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid?
2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 62360010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).