2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid

C13H21NO3 — CID 4644100

IUPAC2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCCC2)CCCC1
InChIInChI=1S/C13H21NO3/c15-11(14-7-3-4-8-14)9-13(10-12(16)17)5-1-2-6-13/h1-10H2,(H,16,17)
InChIKeyIDNKYTKTSILUMN-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.03
Rot. Bonds4

About 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid

2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid (PubChem CID 4644100) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid
PubChem CID4644100
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCCC2)CCCC1
InChIInChI=1S/C13H21NO3/c15-11(14-7-3-4-8-14)9-13(10-12(16)17)5-1-2-6-13/h1-10H2,(H,16,17)
InChIKeyIDNKYTKTSILUMN-UHFFFAOYSA-N
XLogP2.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid (CID 4644100) is 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)N2CCCC2)CCCC1.
What is the InChIKey of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid?
The InChIKey is IDNKYTKTSILUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-11(14-7-3-4-8-14)9-13(10-12(16)17)5-1-2-6-13/h1-10H2,(H,16,17).
What are the key properties of 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid?
2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid has a molecular weight of 239.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]acetic acid is sourced from PubChem (CID 4644100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).