5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid

C13H18N2O4 — CID 61405805

IUPAC5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid
SMILESCC(C)CN(C)C(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8(2)7-15(3)13(19)14-11-5-4-9(16)6-10(11)12(17)18/h4-6,8,16H,7H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyAXTBPXCMLQZWKX-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.21
Rot. Bonds4

About 5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid

5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid (PubChem CID 61405805) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid
PubChem CID61405805
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid
SMILESCC(C)CN(C)C(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8(2)7-15(3)13(19)14-11-5-4-9(16)6-10(11)12(17)18/h4-6,8,16H,7H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyAXTBPXCMLQZWKX-UHFFFAOYSA-N
XLogP2.21
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-difluoro-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 62865574
5-hydroxy-2-(4-methylpentanoylamino)benzoic acid
CID 61406249
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63657376
2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61406052
2-bromo-5-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 115296696
5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82939590
2-[[methyl(2-methylpropyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114025
5-bromo-2-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 62073341
5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid
CID 61435976
4-chloro-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 62335862
2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-hydroxybenzoic acid
CID 61406263
2-[(4-amino-2-methylbutanoyl)amino]-5-hydroxybenzoic acid
CID 80543580

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid (CID 61405805) is 5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid is CC(C)CN(C)C(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid?
The InChIKey is AXTBPXCMLQZWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)7-15(3)13(19)14-11-5-4-9(16)6-10(11)12(17)18/h4-6,8,16H,7H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid?
5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid has a molecular weight of 266.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 61405805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).