tert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate

C11H19NO4 — CID 54457529

IUPACtert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate
SMILESCOC[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-9(13)5-8(12)7-15-4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyWZGTZNDRACCBBI-QMMMGPOBSA-N
MW229.28 g/mol
LogP1.21
Rot. Bonds2

About tert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate

tert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate (PubChem CID 54457529) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate
PubChem CID54457529
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate
SMILESCOC[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-9(13)5-8(12)7-15-4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyWZGTZNDRACCBBI-QMMMGPOBSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate 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 tert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate (CID 54457529) is tert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate is COC[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate?
The InChIKey is WZGTZNDRACCBBI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-9(13)5-8(12)7-15-4/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 54457529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).