tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate

C13H22N2O3 — CID 172586842

IUPACtert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCC(=O)CN1CC2(C1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C13H22N2O3/c1-10(16)5-14-6-13(7-14)8-15(9-13)11(17)18-12(2,3)4/h5-9H2,1-4H3
InChIKeyIEFUXRDMTSHCLT-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.13
Rot. Bonds2

About tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate (PubChem CID 172586842) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
PubChem CID172586842
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nametert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCC(=O)CN1CC2(C1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C13H22N2O3/c1-10(16)5-14-6-13(7-14)8-15(9-13)11(17)18-12(2,3)4/h5-9H2,1-4H3
InChIKeyIEFUXRDMTSHCLT-UHFFFAOYSA-N
XLogP1.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 169161321
tert-butyl 3-methyl-3-(2-oxopropyl)azetidine-1-carboxylate
CID 126745334
CID 176582761
CID 176582761
tert-butyl 2-(2,2-dimethylpropylsulfonyl)-2,6-diazaspiro[3.3]heptane-6-carboxylate
CID 162745655
tert-butyl 6-[(4-methoxyphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 172639817
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287
tert-butyl acetate;ditert-butyl 7-methyl-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododecane-1,4-dicarboxylate
CID 142939666
tert-butyl 6-[(3-cyclohexyloxycyclobutyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 167657962
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate (CID 172586842) is tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate is CC(=O)CN1CC2(C1)CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The InChIKey is IEFUXRDMTSHCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(16)5-14-6-13(7-14)8-15(9-13)11(17)18-12(2,3)4/h5-9H2,1-4H3.
What are the key properties of tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate?
tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 172586842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).