dimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate

C9H13NO6 — CID 67190469

IUPACdimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate
SMILESCOC(=O)C1NC(C(=O)OC)C2OCOC12
InChIInChI=1S/C9H13NO6/c1-13-8(11)4-6-7(16-3-15-6)5(10-4)9(12)14-2/h4-7,10H,3H2,1-2H3
InChIKeyYANMKOIGFXOAFD-UHFFFAOYSA-N
MW231.20 g/mol
LogP-1.59
Rot. Bonds2

About dimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate

dimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate (PubChem CID 67190469) has the molecular formula C9H13NO6 and a molecular weight of 231.20 g/mol. Its IUPAC name is dimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate
PubChem CID67190469
Molecular FormulaC9H13NO6
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Namedimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate
SMILESCOC(=O)C1NC(C(=O)OC)C2OCOC12
InChIInChI=1S/C9H13NO6/c1-13-8(11)4-6-7(16-3-15-6)5(10-4)9(12)14-2/h4-7,10H,3H2,1-2H3
InChIKeyYANMKOIGFXOAFD-UHFFFAOYSA-N
XLogP-1.59
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate with MolForge

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Related Compounds

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methyl (2R,3R)-3-methylpiperazine-2-carboxylate
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methyl 2,6-dimethylmorpholine-3-carboxylate
CID 110192673
methyl (3R)-3-hydroxypyrrolidine-2-carboxylate
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CID 172655153
methyl (2R,3S)-3-propylaziridine-2-carboxylate
CID 15249125
methyl (2S,3R)-3-methylpyrrolidine-2-carboxylate
CID 45089991
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl (2S)-aziridine-2-carboxylate
CID 10329257

Frequently Asked Questions

What is the IUPAC name of dimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate?
The IUPAC name of dimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate (CID 67190469) is dimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate.
What is the SMILES notation for dimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate?
The canonical SMILES for dimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate is COC(=O)C1NC(C(=O)OC)C2OCOC12.
What is the InChIKey of dimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate?
The InChIKey is YANMKOIGFXOAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO6/c1-13-8(11)4-6-7(16-3-15-6)5(10-4)9(12)14-2/h4-7,10H,3H2,1-2H3.
What are the key properties of dimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate?
dimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate has a molecular weight of 231.20 g/mol, XLogP of -1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4,6-dicarboxylate is sourced from PubChem (CID 67190469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).