[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate

C8H11NO5 — CID 89325456

IUPAC[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate
SMILESO=CCCC(=O)ON1C(=O)CC[C@@H]1O
InChIInChI=1S/C8H11NO5/c10-5-1-2-8(13)14-9-6(11)3-4-7(9)12/h5-6,11H,1-4H2/t6-/m0/s1
InChIKeyMDESAHHKBPPZFC-LURJTMIESA-N
MW201.18 g/mol
LogP-0.64
Rot. Bonds4

About [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate

[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate (PubChem CID 89325456) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate.

Molecular Properties

Compound Name[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate
PubChem CID89325456
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate
SMILESO=CCCC(=O)ON1C(=O)CC[C@@H]1O
InChIInChI=1S/C8H11NO5/c10-5-1-2-8(13)14-9-6(11)3-4-7(9)12/h5-6,11H,1-4H2/t6-/m0/s1
InChIKeyMDESAHHKBPPZFC-LURJTMIESA-N
XLogP-0.64
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate 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 [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate?
The IUPAC name of [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate (CID 89325456) is [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate.
What is the SMILES notation for [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate?
The canonical SMILES for [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate is O=CCCC(=O)ON1C(=O)CC[C@@H]1O.
What is the InChIKey of [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate?
The InChIKey is MDESAHHKBPPZFC-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NO5/c10-5-1-2-8(13)14-9-6(11)3-4-7(9)12/h5-6,11H,1-4H2/t6-/m0/s1.
What are the key properties of [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate?
[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate has a molecular weight of 201.18 g/mol, XLogP of -0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate is sourced from PubChem (CID 89325456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).