methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate

C14H15NO5 — CID 103958225

IUPACmethyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C14H15NO5/c1-8-9-5-3-4-6-11(9)20-12(8)13(17)15-7-10(16)14(18)19-2/h3-6,10,16H,7H2,1-2H3,(H,15,17)
InChIKeyKOHXVSREKAFRSR-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.00
Rot. Bonds4

About methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate

methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate (PubChem CID 103958225) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate
PubChem CID103958225
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Namemethyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C14H15NO5/c1-8-9-5-3-4-6-11(9)20-12(8)13(17)15-7-10(16)14(18)19-2/h3-6,10,16H,7H2,1-2H3,(H,15,17)
InChIKeyKOHXVSREKAFRSR-UHFFFAOYSA-N
XLogP1.00
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)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

2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 106108095
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
3-[[(3-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81064139
methyl (2S)-2-hydroxy-3-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]propanoate
CID 97252425
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methyl-1-benzofuran-2-carboxamide
CID 109381086
N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 18167066
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 110902400
4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 26206969
3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
CID 9088716
4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 62480713

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate (CID 103958225) is methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate is COC(=O)C(O)CNC(=O)c1oc2ccccc2c1C.
What is the InChIKey of methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate?
The InChIKey is KOHXVSREKAFRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-8-9-5-3-4-6-11(9)20-12(8)13(17)15-7-10(16)14(18)19-2/h3-6,10,16H,7H2,1-2H3,(H,15,17).
What are the key properties of methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate?
methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate has a molecular weight of 277.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate is sourced from PubChem (CID 103958225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).