ethyl 2-[methyl(prop-2-enyl)amino]acetate

C8H15NO2 — CID 21403446

IUPACethyl 2-[methyl(prop-2-enyl)amino]acetate
SMILESC=CCN(C)CC(=O)OCC
InChIInChI=1S/C8H15NO2/c1-4-6-9(3)7-8(10)11-5-2/h4H,1,5-7H2,2-3H3
InChIKeyOFDYNIRENYEZIX-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.67
Rot. Bonds5

About ethyl 2-[methyl(prop-2-enyl)amino]acetate

ethyl 2-[methyl(prop-2-enyl)amino]acetate (PubChem CID 21403446) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl 2-[methyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(prop-2-enyl)amino]acetate
PubChem CID21403446
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl 2-[methyl(prop-2-enyl)amino]acetate
SMILESC=CCN(C)CC(=O)OCC
InChIInChI=1S/C8H15NO2/c1-4-6-9(3)7-8(10)11-5-2/h4H,1,5-7H2,2-3H3
InChIKeyOFDYNIRENYEZIX-UHFFFAOYSA-N
XLogP0.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl 2-[methyl(prop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(prop-2-enyl)amino]acetate (CID 21403446) is ethyl 2-[methyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(prop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(prop-2-enyl)amino]acetate is C=CCN(C)CC(=O)OCC.
What is the InChIKey of ethyl 2-[methyl(prop-2-enyl)amino]acetate?
The InChIKey is OFDYNIRENYEZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-6-9(3)7-8(10)11-5-2/h4H,1,5-7H2,2-3H3.
What are the key properties of ethyl 2-[methyl(prop-2-enyl)amino]acetate?
ethyl 2-[methyl(prop-2-enyl)amino]acetate has a molecular weight of 157.21 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 21403446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).