ethyl 2-oxo-2-(prop-2-enylamino)acetate

C7H11NO3 — CID 6420265

IUPACethyl 2-oxo-2-(prop-2-enylamino)acetate
SMILESC=CCNC(=O)C(=O)OCC
InChIInChI=1S/C7H11NO3/c1-3-5-8-6(9)7(10)11-4-2/h3H,1,4-5H2,2H3,(H,8,9)
InChIKeyKGSUEYMMVBJVSO-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.15
Rot. Bonds3

About ethyl 2-oxo-2-(prop-2-enylamino)acetate

ethyl 2-oxo-2-(prop-2-enylamino)acetate (PubChem CID 6420265) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is ethyl 2-oxo-2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(prop-2-enylamino)acetate
PubChem CID6420265
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Nameethyl 2-oxo-2-(prop-2-enylamino)acetate
SMILESC=CCNC(=O)C(=O)OCC
InChIInChI=1S/C7H11NO3/c1-3-5-8-6(9)7(10)11-4-2/h3H,1,4-5H2,2H3,(H,8,9)
InChIKeyKGSUEYMMVBJVSO-UHFFFAOYSA-N
XLogP-0.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(prop-2-enylamino)acetate?
The IUPAC name of ethyl 2-oxo-2-(prop-2-enylamino)acetate (CID 6420265) is ethyl 2-oxo-2-(prop-2-enylamino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(prop-2-enylamino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(prop-2-enylamino)acetate is C=CCNC(=O)C(=O)OCC.
What is the InChIKey of ethyl 2-oxo-2-(prop-2-enylamino)acetate?
The InChIKey is KGSUEYMMVBJVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-5-8-6(9)7(10)11-4-2/h3H,1,4-5H2,2H3,(H,8,9).
What are the key properties of ethyl 2-oxo-2-(prop-2-enylamino)acetate?
ethyl 2-oxo-2-(prop-2-enylamino)acetate has a molecular weight of 157.17 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(prop-2-enylamino)acetate is sourced from PubChem (CID 6420265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).