5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid

C15H17NO4 — CID 82683747

IUPAC5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1coc2ccccc12
InChIInChI=1S/C15H17NO4/c1-10(6-7-14(17)18)8-16-15(19)12-9-20-13-5-3-2-4-11(12)13/h2-5,9-10H,6-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyHOOMLRXFGTZNTC-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.66
Rot. Bonds6

About 5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid

5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid (PubChem CID 82683747) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid
PubChem CID82683747
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1coc2ccccc12
InChIInChI=1S/C15H17NO4/c1-10(6-7-14(17)18)8-16-15(19)12-9-20-13-5-3-2-4-11(12)13/h2-5,9-10H,6-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyHOOMLRXFGTZNTC-UHFFFAOYSA-N
XLogP2.66
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
CID 95359138
N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
CID 99646947
3-(1-benzofuran-3-carbonylamino)-2-hydroxypropanoic acid
CID 66165805
4-(1-benzofuran-3-carbonylamino)-2-methylbutanoic acid
CID 80538669
N-(2-chloropentyl)-1-benzofuran-3-carboxamide
CID 113496475
N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide
CID 106157815
N-(4-bromopentyl)-1-benzofuran-3-carboxamide
CID 106131215
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide
CID 9117714
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
CID 103726467
4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 82009837
5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82826570
N-phenacyl-1-benzofuran-3-carboxamide
CID 64991447

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid?
The IUPAC name of 5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid (CID 82683747) is 5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid.
What is the SMILES notation for 5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid?
The canonical SMILES for 5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)c1coc2ccccc12.
What is the InChIKey of 5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid?
The InChIKey is HOOMLRXFGTZNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10(6-7-14(17)18)8-16-15(19)12-9-20-13-5-3-2-4-11(12)13/h2-5,9-10H,6-8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid?
5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid has a molecular weight of 275.30 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 82683747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).