ethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate

C9H15NO3 — CID 164665822

IUPACethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CC(C)C(=O)N1
InChIInChI=1S/C9H15NO3/c1-3-13-8(11)5-7-4-6(2)9(12)10-7/h6-7H,3-5H2,1-2H3,(H,10,12)/t6?,7-/m1/s1
InChIKeyNBYRITWBPJSHPB-COBSHVIPSA-N
MW185.22 g/mol
LogP0.46
Rot. Bonds3

About ethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate

ethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate (PubChem CID 164665822) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate
PubChem CID164665822
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CC(C)C(=O)N1
InChIInChI=1S/C9H15NO3/c1-3-13-8(11)5-7-4-6(2)9(12)10-7/h6-7H,3-5H2,1-2H3,(H,10,12)/t6?,7-/m1/s1
InChIKeyNBYRITWBPJSHPB-COBSHVIPSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-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 ethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate (CID 164665822) is ethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate is CCOC(=O)C[C@H]1CC(C)C(=O)N1.
What is the InChIKey of ethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate?
The InChIKey is NBYRITWBPJSHPB-COBSHVIPSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-13-8(11)5-7-4-6(2)9(12)10-7/h6-7H,3-5H2,1-2H3,(H,10,12)/t6?,7-/m1/s1.
What are the key properties of ethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate?
ethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate has a molecular weight of 185.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-4-methyl-5-oxopyrrolidin-2-yl]acetate is sourced from PubChem (CID 164665822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).