methyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetate

C11H19NO4 — CID 58813119

IUPACmethyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)[C@@H](CC(C)C)CC1O
InChIInChI=1S/C11H19NO4/c1-7(2)4-8-5-9(13)12(11(8)15)6-10(14)16-3/h7-9,13H,4-6H2,1-3H3/t8-,9?/m0/s1
InChIKeyCTNCDLPIKOPLHV-IENPIDJESA-N
MW229.28 g/mol
LogP0.37
Rot. Bonds4

About methyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetate

methyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetate (PubChem CID 58813119) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetate
PubChem CID58813119
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)[C@@H](CC(C)C)CC1O
InChIInChI=1S/C11H19NO4/c1-7(2)4-8-5-9(13)12(11(8)15)6-10(14)16-3/h7-9,13H,4-6H2,1-3H3/t8-,9?/m0/s1
InChIKeyCTNCDLPIKOPLHV-IENPIDJESA-N
XLogP0.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetate (CID 58813119) is methyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetate is COC(=O)CN1C(=O)[C@@H](CC(C)C)CC1O.
What is the InChIKey of methyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetate?
The InChIKey is CTNCDLPIKOPLHV-IENPIDJESA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(2)4-8-5-9(13)12(11(8)15)6-10(14)16-3/h7-9,13H,4-6H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of methyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetate?
methyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetate has a molecular weight of 229.28 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S)-5-hydroxy-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 58813119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).