dimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate

C8H11NO4 — CID 15483170

IUPACdimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CC=CN1C(=O)OC
InChIInChI=1S/C8H11NO4/c1-12-7(10)6-4-3-5-9(6)8(11)13-2/h3,5-6H,4H2,1-2H3/t6-/m0/s1
InChIKeyZKNNONXQHWTSCG-LURJTMIESA-N
MW185.18 g/mol
LogP0.51
Rot. Bonds1

About dimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate

dimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate (PubChem CID 15483170) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is dimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate
PubChem CID15483170
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Namedimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CC=CN1C(=O)OC
InChIInChI=1S/C8H11NO4/c1-12-7(10)6-4-3-5-9(6)8(11)13-2/h3,5-6H,4H2,1-2H3/t6-/m0/s1
InChIKeyZKNNONXQHWTSCG-LURJTMIESA-N
XLogP0.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate 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 dimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate?
The IUPAC name of dimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate (CID 15483170) is dimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate?
The canonical SMILES for dimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate is COC(=O)[C@@H]1CC=CN1C(=O)OC.
What is the InChIKey of dimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate?
The InChIKey is ZKNNONXQHWTSCG-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NO4/c1-12-7(10)6-4-3-5-9(6)8(11)13-2/h3,5-6H,4H2,1-2H3/t6-/m0/s1.
What are the key properties of dimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate?
dimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate has a molecular weight of 185.18 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate is sourced from PubChem (CID 15483170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).