tert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate

C13H24N2O4 — CID 82667423

IUPACtert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(COC(CCN)OC2)C1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(16)15-6-13(7-15)8-17-10(4-5-14)18-9-13/h10H,4-9,14H2,1-3H3
InChIKeyOWSQUEDTSSSXTA-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.95
Rot. Bonds2

About tert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate

tert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate (PubChem CID 82667423) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate
PubChem CID82667423
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(COC(CCN)OC2)C1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(16)15-6-13(7-15)8-17-10(4-5-14)18-9-13/h10H,4-9,14H2,1-3H3
InChIKeyOWSQUEDTSSSXTA-UHFFFAOYSA-N
XLogP0.95
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-amino-3-(aminomethyl)azetidine-1-carboxylate
CID 135393346
tert-butyl 2-(2-aminoethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 155438113
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
3-(2-aminoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 165495259
tert-butyl 7-[2-[[(4-cyanophenyl)-(4-propan-2-ylcyclohexyl)methyl]amino]ethyl]-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 176963552
CID 176582761
CID 176582761
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
tert-butyl 7-(bromomethyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 163218590
2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-6-azaspiro[3.3]heptan-3-yl]acetic acid
CID 131875250
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl 3-amino-3-(trifluoromethyl)azetidine-1-carboxylate
CID 50986404
tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 172586842

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate (CID 82667423) is tert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(COC(CCN)OC2)C1.
What is the InChIKey of tert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate?
The InChIKey is OWSQUEDTSSSXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-12(2,3)19-11(16)15-6-13(7-15)8-17-10(4-5-14)18-9-13/h10H,4-9,14H2,1-3H3.
What are the key properties of tert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate?
tert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(2-aminoethyl)-6,8-dioxa-2-azaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 82667423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).