2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid

C14H15NO5 — CID 82043387

IUPAC2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
SMILESCOc1ccc2oc(C)c(C(=O)NC(C)C(=O)O)c2c1
InChIInChI=1S/C14H15NO5/c1-7(14(17)18)15-13(16)12-8(2)20-11-5-4-9(19-3)6-10(11)12/h4-7H,1-3H3,(H,15,16)(H,17,18)
InChIKeyGCPXVIXWIMYYII-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.95
Rot. Bonds4

About 2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid

2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid (PubChem CID 82043387) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
PubChem CID82043387
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
SMILESCOc1ccc2oc(C)c(C(=O)NC(C)C(=O)O)c2c1
InChIInChI=1S/C14H15NO5/c1-7(14(17)18)15-13(16)12-8(2)20-11-5-4-9(19-3)6-10(11)12/h4-7H,1-3H3,(H,15,16)(H,17,18)
InChIKeyGCPXVIXWIMYYII-UHFFFAOYSA-N
XLogP1.95
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55792336
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 94029246
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]butanoic acid
CID 13415654
5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526
N-cyclohexyl-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 1130073
N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111115760
N-(3-hydroxy-3-phenylpropyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111471937
N'-(2-chlorobenzoyl)-5-methoxy-2-methyl-1-benzofuran-3-carbohydrazide
CID 55787551
N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065520
5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038641
5-[(1S)-1-carboxyethoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 854526

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid (CID 82043387) is 2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid is COc1ccc2oc(C)c(C(=O)NC(C)C(=O)O)c2c1.
What is the InChIKey of 2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid?
The InChIKey is GCPXVIXWIMYYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-7(14(17)18)15-13(16)12-8(2)20-11-5-4-9(19-3)6-10(11)12/h4-7H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid?
2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid has a molecular weight of 277.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 82043387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).