tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate

C13H24N2O2 — CID 97294860

IUPACtert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@]2(CC[C@H]2N)C1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-4-6-13(9-15)7-5-10(13)14/h10H,4-9,14H2,1-3H3/t10-,13+/m1/s1
InChIKeyUQJBLNIEPDTKAQ-MFKMUULPSA-N
MW240.35 g/mol
LogP2.12
Rot. Bonds

About tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate

tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate (PubChem CID 97294860) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
PubChem CID97294860
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@]2(CC[C@H]2N)C1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-4-6-13(9-15)7-5-10(13)14/h10H,4-9,14H2,1-3H3/t10-,13+/m1/s1
InChIKeyUQJBLNIEPDTKAQ-MFKMUULPSA-N
XLogP2.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate
CID 82667309
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl 4-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 82380941
tert-butyl 2-[2-(methylamino)ethyl]-5-azaspiro[2.5]octane-5-carboxylate
CID 84712230
tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 82380603
tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl 6-hydroxy-2-azaspiro[4.5]decane-2-carboxylate
CID 135395733
tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate
CID 97171663
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488546

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate?
The IUPAC name of tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate (CID 97294860) is tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate.
What is the SMILES notation for tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate?
The canonical SMILES for tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate is CC(C)(C)OC(=O)N1CCC[C@]2(CC[C@H]2N)C1.
What is the InChIKey of tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate?
The InChIKey is UQJBLNIEPDTKAQ-MFKMUULPSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-4-6-13(9-15)7-5-10(13)14/h10H,4-9,14H2,1-3H3/t10-,13+/m1/s1.
What are the key properties of tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate?
tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate is sourced from PubChem (CID 97294860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).