methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate

C11H13NO5 — CID 113344182

IUPACmethyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccccc1O
InChIInChI=1S/C11H13NO5/c1-17-11(16)9(14)6-12-10(15)7-4-2-3-5-8(7)13/h2-5,9,13-14H,6H2,1H3,(H,12,15)
InChIKeyUMCOHJOKEPMTEH-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.34
Rot. Bonds4

About methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate

methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate (PubChem CID 113344182) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate
PubChem CID113344182
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Namemethyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccccc1O
InChIInChI=1S/C11H13NO5/c1-17-11(16)9(14)6-12-10(15)7-4-2-3-5-8(7)13/h2-5,9,13-14H,6H2,1H3,(H,12,15)
InChIKeyUMCOHJOKEPMTEH-UHFFFAOYSA-N
XLogP-0.34
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate 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 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate
CID 103879318
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate
CID 103958098
2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
2-[2-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-oxoethyl]benzoic acid
CID 107214934
methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate
CID 104889728
N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613562
methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate
CID 103957814
methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate
CID 104920530
methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103879325
methyl 3-[(3-chloro-2-nitrobenzoyl)amino]-2-hydroxypropanoate
CID 103958033
methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107222746

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate (CID 113344182) is methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate is COC(=O)C(O)CNC(=O)c1ccccc1O.
What is the InChIKey of methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate?
The InChIKey is UMCOHJOKEPMTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-17-11(16)9(14)6-12-10(15)7-4-2-3-5-8(7)13/h2-5,9,13-14H,6H2,1H3,(H,12,15).
What are the key properties of methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate?
methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate has a molecular weight of 239.23 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate is sourced from PubChem (CID 113344182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).