5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid

C15H19NO4 — CID 82854914

IUPAC5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H19NO4/c1-10(3-2-4-14(17)18)16-15(19)12-5-6-13-11(9-12)7-8-20-13/h5-6,9-10H,2-4,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyWESTYZKZCKYJEI-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.99
Rot. Bonds6

About 5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid

5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid (PubChem CID 82854914) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid
PubChem CID82854914
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H19NO4/c1-10(3-2-4-14(17)18)16-15(19)12-5-6-13-11(9-12)7-8-20-13/h5-6,9-10H,2-4,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyWESTYZKZCKYJEI-UHFFFAOYSA-N
XLogP1.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)pentanedioic acid
CID 61152299
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65191054
5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid
CID 43358654
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65312218
4-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylbutanoic acid
CID 80539298
5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid
CID 82846742
N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103512682
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103799428
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 77039359
N-(3-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114302534
N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62667060

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid (CID 82854914) is 5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid is CC(CCCC(=O)O)NC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid?
The InChIKey is WESTYZKZCKYJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(3-2-4-14(17)18)16-15(19)12-5-6-13-11(9-12)7-8-20-13/h5-6,9-10H,2-4,7-8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid?
5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid is sourced from PubChem (CID 82854914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).