2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid

C14H15NO5 — CID 106108095

IUPAC2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
SMILESCOC(CNC(=O)c1oc2ccccc2c1C)C(=O)O
InChIInChI=1S/C14H15NO5/c1-8-9-5-3-4-6-10(9)20-12(8)13(16)15-7-11(19-2)14(17)18/h3-6,11H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGOTQTLICAIZEQD-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.57
Rot. Bonds5

About 2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid

2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid (PubChem CID 106108095) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
PubChem CID106108095
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
SMILESCOC(CNC(=O)c1oc2ccccc2c1C)C(=O)O
InChIInChI=1S/C14H15NO5/c1-8-9-5-3-4-6-10(9)20-12(8)13(16)15-7-11(19-2)14(17)18/h3-6,11H,7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGOTQTLICAIZEQD-UHFFFAOYSA-N
XLogP1.57
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106107067
methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate
CID 103958225
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
3-[[(3-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81064139
N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 18167066
4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 62480713
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 43357642
4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246
3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide
CID 16602422
3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
CID 9088716

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid (CID 106108095) is 2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid is COC(CNC(=O)c1oc2ccccc2c1C)C(=O)O.
What is the InChIKey of 2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid?
The InChIKey is GOTQTLICAIZEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-8-9-5-3-4-6-10(9)20-12(8)13(16)15-7-11(19-2)14(17)18/h3-6,11H,7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid?
2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid has a molecular weight of 277.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106108095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).