ethyl 2-(ethenylamino)acetate

C6H11NO2 — CID 12816426

IUPACethyl 2-(ethenylamino)acetate
SMILESC=CNCC(=O)OCC
InChIInChI=1S/C6H11NO2/c1-3-7-5-6(8)9-4-2/h3,7H,1,4-5H2,2H3
InChIKeyHIDFTQNMYRRJOB-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.28
Rot. Bonds4

About ethyl 2-(ethenylamino)acetate

ethyl 2-(ethenylamino)acetate (PubChem CID 12816426) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethyl 2-(ethenylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(ethenylamino)acetate
PubChem CID12816426
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethyl 2-(ethenylamino)acetate
SMILESC=CNCC(=O)OCC
InChIInChI=1S/C6H11NO2/c1-3-7-5-6(8)9-4-2/h3,7H,1,4-5H2,2H3
InChIKeyHIDFTQNMYRRJOB-UHFFFAOYSA-N
XLogP0.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethenylamino)acetate?
The IUPAC name of ethyl 2-(ethenylamino)acetate (CID 12816426) is ethyl 2-(ethenylamino)acetate.
What is the SMILES notation for ethyl 2-(ethenylamino)acetate?
The canonical SMILES for ethyl 2-(ethenylamino)acetate is C=CNCC(=O)OCC.
What is the InChIKey of ethyl 2-(ethenylamino)acetate?
The InChIKey is HIDFTQNMYRRJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-7-5-6(8)9-4-2/h3,7H,1,4-5H2,2H3.
What are the key properties of ethyl 2-(ethenylamino)acetate?
ethyl 2-(ethenylamino)acetate has a molecular weight of 129.16 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethenylamino)acetate is sourced from PubChem (CID 12816426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).