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

C13H17NO2 — CID 21135037

IUPAC2-(2,3-dihydroindol-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CCc2ccccc21
InChIInChI=1S/C13H17NO2/c1-2-5-12(13(15)16)14-9-8-10-6-3-4-7-11(10)14/h3-4,6-7,12H,2,5,8-9H2,1H3,(H,15,16)
InChIKeyYDGRPWSSRJDNQB-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.30
Rot. Bonds4

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

2-(2,3-dihydroindol-1-yl)pentanoic acid (PubChem CID 21135037) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)pentanoic acid
PubChem CID21135037
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(2,3-dihydroindol-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CCc2ccccc21
InChIInChI=1S/C13H17NO2/c1-2-5-12(13(15)16)14-9-8-10-6-3-4-7-11(10)14/h3-4,6-7,12H,2,5,8-9H2,1H3,(H,15,16)
InChIKeyYDGRPWSSRJDNQB-UHFFFAOYSA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
(2S)-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 54278547
1-dodecan-6-yl-2,3-dihydroindole
CID 139359404
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one
CID 82133752
(2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid
CID 124623164
N-tert-butyl-2-(2,3-dihydroindol-1-yl)pentan-1-amine
CID 83043122
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
2-(2,3-dihydroindol-1-yl)-3-methylbutanamide
CID 82040813
3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103494512
(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,3-dihydroindol-1-yl)propan-1-one
CID 9432317
ethyl 2-(7-amino-2,3-dihydroindol-1-yl)pentanoate
CID 114456571

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)pentanoic acid?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)pentanoic acid (CID 21135037) is 2-(2,3-dihydroindol-1-yl)pentanoic acid.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)pentanoic acid?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)pentanoic acid is CCCC(C(=O)O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)pentanoic acid?
The InChIKey is YDGRPWSSRJDNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-5-12(13(15)16)14-9-8-10-6-3-4-7-11(10)14/h3-4,6-7,12H,2,5,8-9H2,1H3,(H,15,16).
What are the key properties of 2-(2,3-dihydroindol-1-yl)pentanoic acid?
2-(2,3-dihydroindol-1-yl)pentanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)pentanoic acid is sourced from PubChem (CID 21135037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).