Home > Compound List > Compound details
1227382-01-5 molecular structure
click picture or here to close

oxalic acid tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate

ChemBase ID: 65262
Molecular Formular: C12H20N2O6
Molecular Mass: 288.297
Monoisotopic Mass: 288.13213637
SMILES and InChIs

SMILES:
C12(CN(C1)C(=O)OC(C)(C)C)CNC2.C(=O)(O)C(=O)O
Canonical SMILES:
O=C(N1CC2(C1)CNC2)OC(C)(C)C.OC(=O)C(=O)O
InChI:
InChI=1S/C10H18N2O2.C2H2O4/c1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10;3-1(4)2(5)6/h11H,4-7H2,1-3H3;(H,3,4)(H,5,6)
InChIKey:
UMRJVCJJEKXMNB-UHFFFAOYSA-N

Cite this record

CBID:65262 http://www.chembase.cn/molecule-65262.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
oxalic acid tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate
IUPAC Traditional name
oxalic acid tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate
Synonyms
2,6-Diazaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester hemioxylate
tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate oxalate
CAS Number
1227382-01-5
1041026-71-4
MDL Number
MFCD12404932
PubChem SID
162031001
PubChem CID
53350400

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 53350400 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9816897  LogD (pH = 7.4) -2.2225325 
Log P 0.23315787  Molar Refractivity 53.0644 cm3
Polarizability 21.132917 Å3 Polar Surface Area 41.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle