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

C15H17NO5 — CID 62480713

IUPAC4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1oc2ccccc2c1C)C(=O)O
InChIInChI=1S/C15H17NO5/c1-9-10-5-3-4-6-12(10)21-13(9)14(17)16-11(15(18)19)7-8-20-2/h3-6,11H,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeySIHLYLPRNUKJSB-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.96
Rot. Bonds6

About 4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid

4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid (PubChem CID 62480713) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
PubChem CID62480713
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
SMILESCOCCC(NC(=O)c1oc2ccccc2c1C)C(=O)O
InChIInChI=1S/C15H17NO5/c1-9-10-5-3-4-6-12(10)21-13(9)14(17)16-11(15(18)19)7-8-20-2/h3-6,11H,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeySIHLYLPRNUKJSB-UHFFFAOYSA-N
XLogP1.96
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

(2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 107822987
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 43357642
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid
CID 120702425
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81085318
2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 106108095
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43238782
5-[(3-methyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 82845342
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003
(2S)-2-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119360844
N'-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-5-oxohexanediamide
CID 171108175

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid (CID 62480713) is 4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid is COCCC(NC(=O)c1oc2ccccc2c1C)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid?
The InChIKey is SIHLYLPRNUKJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-9-10-5-3-4-6-12(10)21-13(9)14(17)16-11(15(18)19)7-8-20-2/h3-6,11H,7-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid?
4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid has a molecular weight of 291.30 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 62480713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).