ethyl 2-(2-methylprop-2-enylamino)acetate

C8H15NO2 — CID 11332603

IUPACethyl 2-(2-methylprop-2-enylamino)acetate
SMILESC=C(C)CNCC(=O)OCC
InChIInChI=1S/C8H15NO2/c1-4-11-8(10)6-9-5-7(2)3/h9H,2,4-6H2,1,3H3
InChIKeySTIZEFZGNZMNPY-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.72
Rot. Bonds5

About ethyl 2-(2-methylprop-2-enylamino)acetate

ethyl 2-(2-methylprop-2-enylamino)acetate (PubChem CID 11332603) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl 2-(2-methylprop-2-enylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methylprop-2-enylamino)acetate
PubChem CID11332603
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl 2-(2-methylprop-2-enylamino)acetate
SMILESC=C(C)CNCC(=O)OCC
InChIInChI=1S/C8H15NO2/c1-4-11-8(10)6-9-5-7(2)3/h9H,2,4-6H2,1,3H3
InChIKeySTIZEFZGNZMNPY-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
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-(2-methylprop-2-enylamino)acetate?
The IUPAC name of ethyl 2-(2-methylprop-2-enylamino)acetate (CID 11332603) is ethyl 2-(2-methylprop-2-enylamino)acetate.
What is the SMILES notation for ethyl 2-(2-methylprop-2-enylamino)acetate?
The canonical SMILES for ethyl 2-(2-methylprop-2-enylamino)acetate is C=C(C)CNCC(=O)OCC.
What is the InChIKey of ethyl 2-(2-methylprop-2-enylamino)acetate?
The InChIKey is STIZEFZGNZMNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-11-8(10)6-9-5-7(2)3/h9H,2,4-6H2,1,3H3.
What are the key properties of ethyl 2-(2-methylprop-2-enylamino)acetate?
ethyl 2-(2-methylprop-2-enylamino)acetate has a molecular weight of 157.21 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylprop-2-enylamino)acetate is sourced from PubChem (CID 11332603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).