2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid

C17H21NO3 — CID 61070388

IUPAC2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CCc2ccc3c(c2)CC(=O)N3)CCCC1
InChIInChI=1S/C17H21NO3/c19-15-10-13-9-12(3-4-14(13)18-15)5-8-17(11-16(20)21)6-1-2-7-17/h3-4,9H,1-2,5-8,10-11H2,(H,18,19)(H,20,21)
InChIKeyJTAOYNCEMGFONH-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.15
Rot. Bonds5

About 2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid

2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid (PubChem CID 61070388) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid
PubChem CID61070388
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CCc2ccc3c(c2)CC(=O)N3)CCCC1
InChIInChI=1S/C17H21NO3/c19-15-10-13-9-12(3-4-14(13)18-15)5-8-17(11-16(20)21)6-1-2-7-17/h3-4,9H,1-2,5-8,10-11H2,(H,18,19)(H,20,21)
InChIKeyJTAOYNCEMGFONH-UHFFFAOYSA-N
XLogP3.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid
CID 63536675
3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propanoic acid
CID 112518611
2,2-difluoro-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
CID 116839750
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
5-butyl-1,3-dihydroindol-2-one
CID 10219749
2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915
4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 82501019
N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119567049
2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid
CID 102710800
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid (CID 61070388) is 2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CCc2ccc3c(c2)CC(=O)N3)CCCC1.
What is the InChIKey of 2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid?
The InChIKey is JTAOYNCEMGFONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-15-10-13-9-12(3-4-14(13)18-15)5-8-17(11-16(20)21)6-1-2-7-17/h3-4,9H,1-2,5-8,10-11H2,(H,18,19)(H,20,21).
What are the key properties of 2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid?
2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61070388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).