3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid

C11H13NO6 — CID 66172176

IUPAC3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1ccc(O)cc1O)C(=O)O
InChIInChI=1S/C11H13NO6/c1-11(18,10(16)17)5-12-9(15)7-3-2-6(13)4-8(7)14/h2-4,13-14,18H,5H2,1H3,(H,12,15)(H,16,17)
InChIKeyJGLUHYRNKRUFFV-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.34
Rot. Bonds4

About 3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66172176) has the molecular formula C11H13NO6 and a molecular weight of 255.23 g/mol. Its IUPAC name is 3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66172176
Molecular FormulaC11H13NO6
Molecular Weight255.23 g/mol
Exact Mass255.07
IUPAC Name3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1ccc(O)cc1O)C(=O)O
InChIInChI=1S/C11H13NO6/c1-11(18,10(16)17)5-12-9(15)7-3-2-6(13)4-8(7)14/h2-4,13-14,18H,5H2,1H3,(H,12,15)(H,16,17)
InChIKeyJGLUHYRNKRUFFV-UHFFFAOYSA-N
XLogP-0.34
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dihydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110545
N-(3-bromo-2,2-dimethylpropyl)-2,4-dihydroxybenzamide
CID 107726081
2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 103714343
2,4-dihydroxy-N-(2-methyl-2-pyridin-4-ylpropyl)benzamide
CID 75484225
2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 66172396
4-[(2,4-dihydroxybenzoyl)amino]butanoic acid
CID 16796144
3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174598
3-[(2-bromo-5-methylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 81109719
3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174920
3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110103
(2R)-2-[(2,4-dihydroxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 93054963

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66172176) is 3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)c1ccc(O)cc1O)C(=O)O.
What is the InChIKey of 3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is JGLUHYRNKRUFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO6/c1-11(18,10(16)17)5-12-9(15)7-3-2-6(13)4-8(7)14/h2-4,13-14,18H,5H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 255.23 g/mol, XLogP of -0.34, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66172176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).