3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid

C12H15NO6 — CID 24697724

IUPAC3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
SMILESCOc1cccc(C(=O)NC(C(=O)O)C(C)O)c1O
InChIInChI=1S/C12H15NO6/c1-6(14)9(12(17)18)13-11(16)7-4-3-5-8(19-2)10(7)15/h3-6,9,14-15H,1-2H3,(H,13,16)(H,17,18)
InChIKeyYGSAWHGALPJLOT-UHFFFAOYSA-N
MW269.25 g/mol
LogP-0.04
Rot. Bonds5

About 3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid

3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid (PubChem CID 24697724) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
PubChem CID24697724
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
SMILESCOc1cccc(C(=O)NC(C(=O)O)C(C)O)c1O
InChIInChI=1S/C12H15NO6/c1-6(14)9(12(17)18)13-11(16)7-4-3-5-8(19-2)10(7)15/h3-6,9,14-15H,1-2H3,(H,13,16)(H,17,18)
InChIKeyYGSAWHGALPJLOT-UHFFFAOYSA-N
XLogP-0.04
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic 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

methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate
CID 43386285
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488
(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid
CID 54368898
2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid
CID 65432052
2-hydroxy-3-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 60653927
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 115622767
2-hydroxy-4-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 114006239
(2S)-2-hydroxy-4-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 114006576
N-heptan-2-yl-2-hydroxy-3-methoxybenzamide
CID 60653869
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945214
N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide
CID 63753586
N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 63755983

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid (CID 24697724) is 3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid is COc1cccc(C(=O)NC(C(=O)O)C(C)O)c1O.
What is the InChIKey of 3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid?
The InChIKey is YGSAWHGALPJLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-6(14)9(12(17)18)13-11(16)7-4-3-5-8(19-2)10(7)15/h3-6,9,14-15H,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid?
3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid has a molecular weight of 269.25 g/mol, XLogP of -0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 24697724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).