prop-2-enyl 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetate

C10H15NO4 — CID 86666522

IUPACprop-2-enyl 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetate
SMILESC=CCOC(=O)CNCC(=O)OCC=C
InChIInChI=1S/C10H15NO4/c1-3-5-14-9(12)7-11-8-10(13)15-6-4-2/h3-4,11H,1-2,5-8H2
InChIKeyQBVJGZDMWXISHF-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.03
Rot. Bonds8

About prop-2-enyl 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetate

prop-2-enyl 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetate (PubChem CID 86666522) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is prop-2-enyl 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetate
PubChem CID86666522
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameprop-2-enyl 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetate
SMILESC=CCOC(=O)CNCC(=O)OCC=C
InChIInChI=1S/C10H15NO4/c1-3-5-14-9(12)7-11-8-10(13)15-6-4-2/h3-4,11H,1-2,5-8H2
InChIKeyQBVJGZDMWXISHF-UHFFFAOYSA-N
XLogP0.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetate?
The IUPAC name of prop-2-enyl 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetate (CID 86666522) is prop-2-enyl 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetate.
What is the SMILES notation for prop-2-enyl 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetate?
The canonical SMILES for prop-2-enyl 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetate is C=CCOC(=O)CNCC(=O)OCC=C.
What is the InChIKey of prop-2-enyl 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetate?
The InChIKey is QBVJGZDMWXISHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-5-14-9(12)7-11-8-10(13)15-6-4-2/h3-4,11H,1-2,5-8H2.
What are the key properties of prop-2-enyl 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetate?
prop-2-enyl 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetate has a molecular weight of 213.23 g/mol, XLogP of 0.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[(2-oxo-2-prop-2-enoxyethyl)amino]acetate is sourced from PubChem (CID 86666522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).