tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate

C13H24N2O3 — CID 82380603

IUPACtert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(COCCC2N)C1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-6-5-13(8-15)9-17-7-4-10(13)14/h10H,4-9,14H2,1-3H3
InChIKeyVNCPBWQUAHQHRO-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.36
Rot. Bonds

About tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate

tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate (PubChem CID 82380603) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
PubChem CID82380603
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(COCCC2N)C1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-6-5-13(8-15)9-17-7-4-10(13)14/h10H,4-9,14H2,1-3H3
InChIKeyVNCPBWQUAHQHRO-UHFFFAOYSA-N
XLogP1.36
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
CID 97294860
tert-butyl 11-amino-2-azaspiro[5.5]undecane-2-carboxylate
CID 82667309
tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
tert-butyl 6-hydroxy-2-azaspiro[4.5]decane-2-carboxylate
CID 135395733
tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 71305964
tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 84708274
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid
CID 129317695
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate
CID 178200490
tert-butyl (4S)-4-amino-2,2-difluoro-8-azaspiro[4.5]decane-8-carboxylate
CID 155904836
tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 84711913

Frequently Asked Questions

What is the IUPAC name of tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate (CID 82380603) is tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(COCCC2N)C1.
What is the InChIKey of tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate?
The InChIKey is VNCPBWQUAHQHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-6-5-13(8-15)9-17-7-4-10(13)14/h10H,4-9,14H2,1-3H3.
What are the key properties of tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate?
tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 82380603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).