2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid

C8H13NO3 — CID 3023785

IUPAC2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid
SMILESCCN1C(=O)CCC1CC(=O)O
InChIInChI=1S/C8H13NO3/c1-2-9-6(5-8(11)12)3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKeyBABFDJDHGVJREU-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.47
Rot. Bonds3

About 2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid

2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid (PubChem CID 3023785) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid
PubChem CID3023785
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid
SMILESCCN1C(=O)CCC1CC(=O)O
InChIInChI=1S/C8H13NO3/c1-2-9-6(5-8(11)12)3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKeyBABFDJDHGVJREU-UHFFFAOYSA-N
XLogP0.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid (CID 3023785) is 2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid is CCN1C(=O)CCC1CC(=O)O.
What is the InChIKey of 2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid?
The InChIKey is BABFDJDHGVJREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-9-6(5-8(11)12)3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid?
2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid has a molecular weight of 171.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-oxopyrrolidin-2-yl)acetic acid is sourced from PubChem (CID 3023785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).