tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate

C15H25NO3 — CID 84711913

IUPACtert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate
SMILESCC(=O)CCC1CC12CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H25NO3/c1-11(17)5-6-12-9-15(12)7-8-16(10-15)13(18)19-14(2,3)4/h12H,5-10H2,1-4H3
InChIKeyBQWFMDPFBXYFLV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.00
Rot. Bonds3

About tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate

tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate (PubChem CID 84711913) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate
PubChem CID84711913
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate
SMILESCC(=O)CCC1CC12CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H25NO3/c1-11(17)5-6-12-9-15(12)7-8-16(10-15)13(18)19-14(2,3)4/h12H,5-10H2,1-4H3
InChIKeyBQWFMDPFBXYFLV-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 84708274
tert-butyl 2-(azidomethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 172759545
tert-butyl 2-[2-(methylamino)ethyl]-5-azaspiro[2.5]octane-5-carboxylate
CID 84712230
tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate
CID 150980287
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride
CID 86280112
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl (4S)-4-amino-2,2-difluoro-8-azaspiro[4.5]decane-8-carboxylate
CID 155904836
tert-butyl 6-hydroxy-2-azaspiro[4.5]decane-2-carboxylate
CID 135395733
tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
CID 129408071

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate?
The IUPAC name of tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate (CID 84711913) is tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate?
The canonical SMILES for tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate is CC(=O)CCC1CC12CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate?
The InChIKey is BQWFMDPFBXYFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(17)5-6-12-9-15(12)7-8-16(10-15)13(18)19-14(2,3)4/h12H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate?
tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate is sourced from PubChem (CID 84711913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).