[(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate

C9H11N3O3 — CID 153315339

IUPAC[(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate
SMILESCc1nccn1C(=O)O[C@H]1CCC(=O)N1
InChIInChI=1S/C9H11N3O3/c1-6-10-4-5-12(6)9(14)15-8-3-2-7(13)11-8/h4-5,8H,2-3H2,1H3,(H,11,13)/t8-/m0/s1
InChIKeyIHMPFMLLZDOSKN-QMMMGPOBSA-N
MW209.20 g/mol
LogP0.41
Rot. Bonds1

About [(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate

[(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate (PubChem CID 153315339) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is [(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate.

Molecular Properties

Compound Name[(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate
PubChem CID153315339
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name[(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate
SMILESCc1nccn1C(=O)O[C@H]1CCC(=O)N1
InChIInChI=1S/C9H11N3O3/c1-6-10-4-5-12(6)9(14)15-8-3-2-7(13)11-8/h4-5,8H,2-3H2,1H3,(H,11,13)/t8-/m0/s1
InChIKeyIHMPFMLLZDOSKN-QMMMGPOBSA-N
XLogP0.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-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 [(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate?
The IUPAC name of [(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate (CID 153315339) is [(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate.
What is the SMILES notation for [(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate?
The canonical SMILES for [(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate is Cc1nccn1C(=O)O[C@H]1CCC(=O)N1.
What is the InChIKey of [(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate?
The InChIKey is IHMPFMLLZDOSKN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-6-10-4-5-12(6)9(14)15-8-3-2-7(13)11-8/h4-5,8H,2-3H2,1H3,(H,11,13)/t8-/m0/s1.
What are the key properties of [(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate?
[(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate has a molecular weight of 209.20 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate is sourced from PubChem (CID 153315339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).