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

C14H16N2O5 — CID 43358654

IUPAC5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)c1ccc2c(c1)CCO2)C(=O)O
InChIInChI=1S/C14H16N2O5/c15-12(17)4-2-10(14(19)20)16-13(18)9-1-3-11-8(7-9)5-6-21-11/h1,3,7,10H,2,4-6H2,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyUCCCPJSTYAJRKX-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.07
Rot. Bonds6

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

5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid (PubChem CID 43358654) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid
PubChem CID43358654
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)c1ccc2c(c1)CCO2)C(=O)O
InChIInChI=1S/C14H16N2O5/c15-12(17)4-2-10(14(19)20)16-13(18)9-1-3-11-8(7-9)5-6-21-11/h1,3,7,10H,2,4-6H2,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyUCCCPJSTYAJRKX-UHFFFAOYSA-N
XLogP0.07
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)pentanedioic acid
CID 61152299
5-amino-2-(1,3-benzodioxole-5-carbonylamino)-5-oxopentanoic acid
CID 43175930
(2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid
CID 61161325
5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid
CID 82854914
(2S)-5-amino-2-[(3,4-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107728042
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
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65191054
(2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-hydroxybutanoic acid
CID 107821866
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-methylsulfanylbutanoic acid
CID 43084945
5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid
CID 108793250
(2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)pentanoic acid
CID 41302849

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid (CID 43358654) is 5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid is NC(=O)CCC(NC(=O)c1ccc2c(c1)CCO2)C(=O)O.
What is the InChIKey of 5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid?
The InChIKey is UCCCPJSTYAJRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c15-12(17)4-2-10(14(19)20)16-13(18)9-1-3-11-8(7-9)5-6-21-11/h1,3,7,10H,2,4-6H2,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid?
5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid has a molecular weight of 292.29 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid is sourced from PubChem (CID 43358654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).