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

C14H15NO4 — CID 43235400

IUPAC4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H15NO4/c1-15(8-4-7-13(16)17)14(18)12-9-10-5-2-3-6-11(10)19-12/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,17)
InChIKeyVPGLFVSKZBLFBO-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.37
Rot. Bonds5

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

4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid (PubChem CID 43235400) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid
PubChem CID43235400
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H15NO4/c1-15(8-4-7-13(16)17)14(18)12-9-10-5-2-3-6-11(10)19-12/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,17)
InChIKeyVPGLFVSKZBLFBO-UHFFFAOYSA-N
XLogP2.37
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide
CID 29096537
N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzofuran-2-carboxamide
CID 54993279
N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 54916950
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 47389196
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63287232
N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide
CID 80660638
N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 86925685
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487
N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 80666605
3-[[1-benzofuran-2-ylmethyl(methyl)carbamoyl]amino]propanoic acid
CID 122018707
1-(1-benzofuran-2-yl)ethanone
CID 15435

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid (CID 43235400) is 4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)c1cc2ccccc2o1.
What is the InChIKey of 4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid?
The InChIKey is VPGLFVSKZBLFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-15(8-4-7-13(16)17)14(18)12-9-10-5-2-3-6-11(10)19-12/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,17).
What are the key properties of 4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid?
4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid is sourced from PubChem (CID 43235400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).