tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate

C13H20N4O2 — CID 45489938

IUPACtert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2c(N)n[nH]c2C12CCC2
InChIInChI=1S/C13H20N4O2/c1-12(2,3)19-11(18)17-7-8-9(15-16-10(8)14)13(17)5-4-6-13/h4-7H2,1-3H3,(H3,14,15,16)
InChIKeyKKWCSMNDIQTVNV-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.12
Rot. Bonds

About tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate

tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate (PubChem CID 45489938) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate
PubChem CID45489938
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nametert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2c(N)n[nH]c2C12CCC2
InChIInChI=1S/C13H20N4O2/c1-12(2,3)19-11(18)17-7-8-9(15-16-10(8)14)13(17)5-4-6-13/h4-7H2,1-3H3,(H3,14,15,16)
InChIKeyKKWCSMNDIQTVNV-UHFFFAOYSA-N
XLogP2.12
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate with MolForge

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Related Compounds

tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;hydrazine;hydrochloride
CID 161326075
tert-butyl 4-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate
CID 141188760
tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate
CID 139383963
tert-butyl 6-amino-1-azaspiro[3.4]octane-1-carboxylate
CID 138112241
tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
CID 56962197
tert-butyl 3-methyl-5-oxo-1,4-diazaspiro[5.6]dodecane-1-carboxylate
CID 143944951
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
tert-butyl 6-sulfanylidene-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 118238455
tert-butyl 4-oxospiro[3H-isoquinoline-1,1'-cyclopropane]-2-carboxylate
CID 175526815
tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate
CID 171991625
tert-butyl 4,6-dioxo-1,2-dithia-5,8-diazaspiro[2.5]octane-8-carboxylate
CID 90205644
tert-butyl 2-amino-2-methylpiperidine-1-carboxylate
CID 69118170

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate?
The IUPAC name of tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate (CID 45489938) is tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate.
What is the SMILES notation for tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate?
The canonical SMILES for tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate is CC(C)(C)OC(=O)N1Cc2c(N)n[nH]c2C12CCC2.
What is the InChIKey of tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate?
The InChIKey is KKWCSMNDIQTVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-12(2,3)19-11(18)17-7-8-9(15-16-10(8)14)13(17)5-4-6-13/h4-7H2,1-3H3,(H3,14,15,16).
What are the key properties of tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate?
tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 2.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-aminospiro[1,4-dihydropyrrolo[3,4-d]pyrazole-6,1'-cyclobutane]-5-carboxylate is sourced from PubChem (CID 45489938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).