tert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate

C20H33N3O3 — CID 167439501

IUPACtert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)N1CC3CCCC3C1)C2
InChIInChI=1S/C20H33N3O3/c1-19(2,3)26-18(25)21-9-7-20(8-10-21)13-23(14-20)17(24)22-11-15-5-4-6-16(15)12-22/h15-16H,4-14H2,1-3H3
InChIKeyMBOHTCCDURUCDD-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.17
Rot. Bonds

About tert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 167439501) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is tert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID167439501
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Nametert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)N1CC3CCCC3C1)C2
InChIInChI=1S/C20H33N3O3/c1-19(2,3)26-18(25)21-9-7-20(8-10-21)13-23(14-20)17(24)22-11-15-5-4-6-16(15)12-22/h15-16H,4-14H2,1-3H3
InChIKeyMBOHTCCDURUCDD-UHFFFAOYSA-N
XLogP3.17
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate with MolForge

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Related Compounds

tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
tert-butyl 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 140810799
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 73171544
tert-butyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 22594529
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 7-(cyclohexanecarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 163728766
tert-butyl 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 63788488
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 118994126
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 167439501) is tert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)N1CC3CCCC3C1)C2.
What is the InChIKey of tert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is MBOHTCCDURUCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-19(2,3)26-18(25)21-9-7-20(8-10-21)13-23(14-20)17(24)22-11-15-5-4-6-16(15)12-22/h15-16H,4-14H2,1-3H3.
What are the key properties of tert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 363.50 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 167439501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).