Home > Compound List > Compound details
63658-16-2 molecular structure
click picture or here to close

methyl (2Z)-2-{[(tert-butoxy)carbonyl]amino}but-2-enoate

ChemBase ID: 294773
Molecular Formular: C10H17NO4
Molecular Mass: 215.24628
Monoisotopic Mass: 215.11575803
SMILES and InChIs

SMILES:
C/C=C(\NC(=O)OC(C)(C)C)/C(=O)OC
Canonical SMILES:
C/C=C(/C(=O)OC)\NC(=O)OC(C)(C)C
InChI:
InChI=1S/C10H17NO4/c1-6-7(8(12)14-5)11-9(13)15-10(2,3)4/h6H,1-5H3,(H,11,13)/b7-6-
InChIKey:
MYYHIDZJUDGETM-SREVYHEPSA-N

Cite this record

CBID:294773 http://www.chembase.cn/molecule-294773.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (2Z)-2-{[(tert-butoxy)carbonyl]amino}but-2-enoate
IUPAC Traditional name
methyl (2Z)-2-[(tert-butoxycarbonyl)amino]but-2-enoate
Synonyms
(Z)-Methyl 2-(tert-butoxycarbonylamino)but-2-enoate
CAS Number
63658-16-2
PubChem SID
180680304
PubChem CID
11401635

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD213243 Please log in.
Data Source Data ID
PubChem 11401635 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.344282  H Acceptors
H Donor LogD (pH = 5.5) 1.6350679 
LogD (pH = 7.4) 1.6350248  Log P 1.6350684 
Molar Refractivity 56.2319 cm3 Polarizability 21.631107 Å3
Polar Surface Area 64.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% 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