5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid

C14H17NO4 — CID 62965231

IUPAC5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C14H17NO4/c1-9(7-14(17)18)6-13(16)15-11-2-3-12-10(8-11)4-5-19-12/h2-3,8-9H,4-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyHVIGGJIRJHVULK-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.06
Rot. Bonds5

About 5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid

5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid (PubChem CID 62965231) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid
PubChem CID62965231
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C14H17NO4/c1-9(7-14(17)18)6-13(16)15-11-2-3-12-10(8-11)4-5-19-12/h2-3,8-9H,4-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyHVIGGJIRJHVULK-UHFFFAOYSA-N
XLogP2.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242
4-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-4-oxobutanoic acid
CID 115164479
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
2-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 113427707
2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 107903969
2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-3-methylbutanoic acid
CID 115186146
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide
CID 62851670
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220019
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentanamide
CID 110837781
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide
CID 107909036
3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 115173560
(2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide
CID 61177905

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid (CID 62965231) is 5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)Nc1ccc2c(c1)CCO2.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is HVIGGJIRJHVULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(7-14(17)18)6-13(16)15-11-2-3-12-10(8-11)4-5-19-12/h2-3,8-9H,4-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid?
5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 263.29 g/mol, XLogP of 2.06, 5 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-ylamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62965231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).