tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate

C12H22N2O2 — CID 171991625

IUPACtert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N)CC12CC2
InChIInChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-7-4-9(13)8-12(14)5-6-12/h9H,4-8,13H2,1-3H3/t9-/m0/s1
InChIKeyIJJRQHGQGVOOTP-VIFPVBQESA-N
MW226.32 g/mol
LogP1.88
Rot. Bonds

About tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate

tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate (PubChem CID 171991625) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate
PubChem CID171991625
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N)CC12CC2
InChIInChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-7-4-9(13)8-12(14)5-6-12/h9H,4-8,13H2,1-3H3/t9-/m0/s1
InChIKeyIJJRQHGQGVOOTP-VIFPVBQESA-N
XLogP1.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate
CID 170992407
tert-butyl 6-(aminomethyl)-1-azaspiro[3.5]nonane-1-carboxylate
CID 155892408
tert-butyl 7-bromo-1-azaspiro[3.5]nonane-1-carboxylate
CID 155894832
tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
CID 155895162
1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate
CID 21307053
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195
tert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate
CID 107239216
tert-butyl 9-amino-4,4-dimethyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155895421
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
CID 56962184
tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 134506707

Frequently Asked Questions

What is the IUPAC name of tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate?
The IUPAC name of tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate (CID 171991625) is tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate.
What is the SMILES notation for tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate?
The canonical SMILES for tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](N)CC12CC2.
What is the InChIKey of tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate?
The InChIKey is IJJRQHGQGVOOTP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-7-4-9(13)8-12(14)5-6-12/h9H,4-8,13H2,1-3H3/t9-/m0/s1.
What are the key properties of tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate?
tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate is sourced from PubChem (CID 171991625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).