5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid

C14H20N2O4 — CID 61471337

IUPAC5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid
SMILESCCC(NC(=O)Nc1ccc(O)cc1C(=O)O)C(C)C
InChIInChI=1S/C14H20N2O4/c1-4-11(8(2)3)15-14(20)16-12-6-5-9(17)7-10(12)13(18)19/h5-8,11,17H,4H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyOJYDVWVGYWEDKW-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.65
Rot. Bonds5

About 5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid

5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid (PubChem CID 61471337) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid
PubChem CID61471337
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid
SMILESCCC(NC(=O)Nc1ccc(O)cc1C(=O)O)C(C)C
InChIInChI=1S/C14H20N2O4/c1-4-11(8(2)3)15-14(20)16-12-6-5-9(17)7-10(12)13(18)19/h5-8,11,17H,4H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyOJYDVWVGYWEDKW-UHFFFAOYSA-N
XLogP2.65
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)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

5-chloro-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid
CID 61470803
2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-hydroxybenzoic acid
CID 61478806
2-(1-cyclopropylethylcarbamoylamino)-5-hydroxybenzoic acid
CID 61405929
2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-hydroxybenzoic acid
CID 61406263
2-(butan-2-ylcarbamoylamino)-5-iodobenzoic acid
CID 63111617
5-bromo-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]benzoic acid
CID 65048226
5-methyl-3-(2-methylpentan-3-ylcarbamoylamino)-1H-pyrrole-2-carboxylic acid
CID 113483186
5-hydroxy-2-(4-methylpentanoylamino)benzoic acid
CID 61406249
2-[(4-amino-2-methylbutanoyl)amino]-5-hydroxybenzoic acid
CID 80543580
2-(2-cyclopropylpropanoylamino)-5-hydroxybenzoic acid
CID 83146824
2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid
CID 103513232
5-hydroxy-2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]benzoic acid
CID 106215657

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid?
The IUPAC name of 5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid (CID 61471337) is 5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid.
What is the SMILES notation for 5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid?
The canonical SMILES for 5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid is CCC(NC(=O)Nc1ccc(O)cc1C(=O)O)C(C)C.
What is the InChIKey of 5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid?
The InChIKey is OJYDVWVGYWEDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-11(8(2)3)15-14(20)16-12-6-5-9(17)7-10(12)13(18)19/h5-8,11,17H,4H2,1-3H3,(H,18,19)(H2,15,16,20).
What are the key properties of 5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid?
5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)benzoic acid is sourced from PubChem (CID 61471337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).