3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid

C12H15NO6 — CID 114144207

IUPAC3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid
SMILESCOc1ccc(C(=O)NCC(OC)C(=O)O)c(O)c1
InChIInChI=1S/C12H15NO6/c1-18-7-3-4-8(9(14)5-7)11(15)13-6-10(19-2)12(16)17/h3-5,10,14H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyGHSGHATUWXYSSO-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.23
Rot. Bonds6

About 3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid

3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid (PubChem CID 114144207) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is 3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid
PubChem CID114144207
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid
SMILESCOc1ccc(C(=O)NCC(OC)C(=O)O)c(O)c1
InChIInChI=1S/C12H15NO6/c1-18-7-3-4-8(9(14)5-7)11(15)13-6-10(19-2)12(16)17/h3-5,10,14H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyGHSGHATUWXYSSO-UHFFFAOYSA-N
XLogP0.23
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic 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

N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide
CID 107261323
2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 115302649
N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide
CID 64540805
2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide
CID 103819096
(2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid
CID 107833807
3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107462
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-4-methoxybenzamide
CID 106116218
2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
CID 114617408
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 47415526
3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid
CID 106107196

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid (CID 114144207) is 3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid is COc1ccc(C(=O)NCC(OC)C(=O)O)c(O)c1.
What is the InChIKey of 3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid?
The InChIKey is GHSGHATUWXYSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-18-7-3-4-8(9(14)5-7)11(15)13-6-10(19-2)12(16)17/h3-5,10,14H,6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid?
3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid has a molecular weight of 269.25 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-4-methoxybenzoyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 114144207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).