potassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate

C11H19KN2O2 — CID 145242253

IUPACpotassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC[N-]C2C1.[K+]
InChIInChI=1S/C11H19N2O2.K/c1-11(2,3)15-10(14)13-6-8-4-5-12-9(8)7-13;/h8-9H,4-7H2,1-3H3;/q-1;+1
InChIKeyKPKKEOOSTMRIBM-UHFFFAOYSA-N
MW250.38 g/mol
LogP-1.00
Rot. Bonds

About potassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate

potassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate (PubChem CID 145242253) has the molecular formula C11H19KN2O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is potassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate.

Molecular Properties

Compound Namepotassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate
PubChem CID145242253
Molecular FormulaC11H19KN2O2
Molecular Weight250.38 g/mol
Exact Mass250.11
IUPAC Namepotassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC[N-]C2C1.[K+]
InChIInChI=1S/C11H19N2O2.K/c1-11(2,3)15-10(14)13-6-8-4-5-12-9(8)7-13;/h8-9H,4-7H2,1-3H3;/q-1;+1
InChIKeyKPKKEOOSTMRIBM-UHFFFAOYSA-N
XLogP-1.00
TPSA43.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze potassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 73171544
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
tert-butyl 8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 58338096
tert-butyl (3aS,8aR)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine-2-carboxylate
CID 71306003
tert-butyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 22594529
tert-butyl 1,3,3a,4,5,7,8,8a-octahydrothiepino[4,5-c]pyrrole-2-carboxylate
CID 155725053
tert-butyl 5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 83487964
ditert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1,5-dicarboxylate
CID 77134389
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl 5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 22594656
tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 6558904

Frequently Asked Questions

What is the IUPAC name of potassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate?
The IUPAC name of potassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate (CID 145242253) is potassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate.
What is the SMILES notation for potassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate?
The canonical SMILES for potassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate is CC(C)(C)OC(=O)N1CC2CC[N-]C2C1.[K+].
What is the InChIKey of potassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate?
The InChIKey is KPKKEOOSTMRIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2O2.K/c1-11(2,3)15-10(14)13-6-8-4-5-12-9(8)7-13;/h8-9H,4-7H2,1-3H3;/q-1;+1.
What are the key properties of potassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate?
potassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate has a molecular weight of 250.38 g/mol, XLogP of -1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium tert-butyl 2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-ide-5-carboxylate is sourced from PubChem (CID 145242253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).