[(3S)-5-oxopyrrolidin-3-yl] acetate

C6H9NO3 — CID 126551320

IUPAC[(3S)-5-oxopyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1CNC(=O)C1
InChIInChI=1S/C6H9NO3/c1-4(8)10-5-2-6(9)7-3-5/h5H,2-3H2,1H3,(H,7,9)/t5-/m0/s1
InChIKeyKKACRYNIWXDYAE-YFKPBYRVSA-N
MW143.14 g/mol
LogP-0.56
Rot. Bonds1

About [(3S)-5-oxopyrrolidin-3-yl] acetate

[(3S)-5-oxopyrrolidin-3-yl] acetate (PubChem CID 126551320) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is [(3S)-5-oxopyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(3S)-5-oxopyrrolidin-3-yl] acetate
PubChem CID126551320
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name[(3S)-5-oxopyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1CNC(=O)C1
InChIInChI=1S/C6H9NO3/c1-4(8)10-5-2-6(9)7-3-5/h5H,2-3H2,1H3,(H,7,9)/t5-/m0/s1
InChIKeyKKACRYNIWXDYAE-YFKPBYRVSA-N
XLogP-0.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S)-5-oxopyrrolidin-3-yl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

5-Hydroxy-3,4-dihydro-2H-pyrrol-3-yl acetate
CID 12365590
4-Methoxypyrrolidin-2-one
CID 22627013
2-Oxopyrrolidin-3-yl acetate
CID 20452404
Ethyl pyrrolidone acetate
CID 122691995
3,4-Dimethoxypyrrolin-2-one
CID 22926297
[(3S)-2-ethoxy-5-oxopyrrolidin-3-yl] acetate
CID 44239236
(2-Ethoxy-5-oxopyrrolidin-3-yl) acetate
CID 74961577
(3R,4S)-3,4-dimethoxypyrrolidin-2-one
CID 134850659
(5-Oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate
CID 130694673
[(3R)-5-oxopyrrolidin-3-yl] acetate
CID 10441804
(S)-4-(tert-Butoxy)pyrrolidin-2-one
CID 10888164
(5-Oxopyrrolidin-3-yl) hydrogen carbonate
CID 22076511

Frequently Asked Questions

What is the IUPAC name of [(3S)-5-oxopyrrolidin-3-yl] acetate?
The IUPAC name of [(3S)-5-oxopyrrolidin-3-yl] acetate (CID 126551320) is [(3S)-5-oxopyrrolidin-3-yl] acetate.
What is the SMILES notation for [(3S)-5-oxopyrrolidin-3-yl] acetate?
The canonical SMILES for [(3S)-5-oxopyrrolidin-3-yl] acetate is CC(=O)O[C@@H]1CNC(=O)C1.
What is the InChIKey of [(3S)-5-oxopyrrolidin-3-yl] acetate?
The InChIKey is KKACRYNIWXDYAE-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4(8)10-5-2-6(9)7-3-5/h5H,2-3H2,1H3,(H,7,9)/t5-/m0/s1.
What are the key properties of [(3S)-5-oxopyrrolidin-3-yl] acetate?
[(3S)-5-oxopyrrolidin-3-yl] acetate has a molecular weight of 143.14 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-oxopyrrolidin-3-yl] acetate is sourced from PubChem (CID 126551320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).