3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid

C13H15NO3 — CID 82116150

IUPAC3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
SMILESCCC(CC(=O)O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H15NO3/c1-2-8(7-13(16)17)9-3-4-11-10(5-9)6-12(15)14-11/h3-5,8H,2,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyNKJRORDZAJWJBO-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.15
Rot. Bonds4

About 3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid

3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid (PubChem CID 82116150) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid.

Molecular Properties

Compound Name3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
PubChem CID82116150
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
SMILESCCC(CC(=O)O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H15NO3/c1-2-8(7-13(16)17)9-3-4-11-10(5-9)6-12(15)14-11/h3-5,8H,2,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyNKJRORDZAJWJBO-UHFFFAOYSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid
CID 82349920
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one
CID 61088892
6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116964107
2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116953331
3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
CID 82349925
ethyl 2-chloro-2-(2-oxo-1,3-dihydroindol-5-yl)acetate
CID 116863121
3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
CID 82351123
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
2-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetic acid
CID 61328207
5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116959878

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid?
The IUPAC name of 3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid (CID 82116150) is 3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid.
What is the SMILES notation for 3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid?
The canonical SMILES for 3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid is CCC(CC(=O)O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid?
The InChIKey is NKJRORDZAJWJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-8(7-13(16)17)9-3-4-11-10(5-9)6-12(15)14-11/h3-5,8H,2,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid?
3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid has a molecular weight of 233.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid is sourced from PubChem (CID 82116150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).