Home > Compound List > Compound details
90711-56-1 molecular structure
click picture or here to close

2-{[(prop-2-en-1-yloxy)carbonyl]amino}acetic acid

ChemBase ID: 90764
Molecular Formular: C6H9NO4
Molecular Mass: 159.13996
Monoisotopic Mass: 159.05315777
SMILES and InChIs

SMILES:
O(CC=C)C(=O)NCC(=O)O
Canonical SMILES:
C=CCOC(=O)NCC(=O)O
InChI:
InChI=1S/C6H9NO4/c1-2-3-11-6(10)7-4-5(8)9/h2H,1,3-4H2,(H,7,10)(H,8,9)
InChIKey:
ZNUQQBSUOAMEBA-UHFFFAOYSA-N

Cite this record

CBID:90764 http://www.chembase.cn/molecule-90764.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[(prop-2-en-1-yloxy)carbonyl]amino}acetic acid
IUPAC Traditional name
{[(prop-2-en-1-yloxy)carbonyl]amino}acetic acid
Synonyms
N-{[(Prop-2-en-1-yl)oxy]carbonyl}glycine
({[(Prop-2-en-1-yl)oxy]carbonyl}amino)acetic acid
N-[(Allyloxy)carbonyl]glycine
CAS Number
90711-56-1
PubChem SID
162077495
PubChem CID
11964402

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR61384 external link Add to cart Please log in.
Data Source Data ID
PubChem 11964402 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7522986  H Acceptors
H Donor LogD (pH = 5.5) -1.7263651 
LogD (pH = 7.4) -3.261729  Log P 0.021912005 
Molar Refractivity 36.2335 cm3 Polarizability 14.11712 Å3
Polar Surface Area 75.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
30-33°C expand Show data source
Storage Warning
Harmful 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