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

C9H17NO2 — CID 19387820

IUPACethyl 2-[ethyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC)CC(=O)OCC
InChIInChI=1S/C9H17NO2/c1-4-7-10(5-2)8-9(11)12-6-3/h4H,1,5-8H2,2-3H3
InChIKeyPEMVAZVHTRPRJE-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.06
Rot. Bonds6

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

ethyl 2-[ethyl(prop-2-enyl)amino]acetate (PubChem CID 19387820) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 2-[ethyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl(prop-2-enyl)amino]acetate
PubChem CID19387820
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 2-[ethyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC)CC(=O)OCC
InChIInChI=1S/C9H17NO2/c1-4-7-10(5-2)8-9(11)12-6-3/h4H,1,5-8H2,2-3H3
InChIKeyPEMVAZVHTRPRJE-UHFFFAOYSA-N
XLogP1.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.06
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-[ethyl(prop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl(prop-2-enyl)amino]acetate (CID 19387820) is ethyl 2-[ethyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl(prop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl(prop-2-enyl)amino]acetate is C=CCN(CC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[ethyl(prop-2-enyl)amino]acetate?
The InChIKey is PEMVAZVHTRPRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7-10(5-2)8-9(11)12-6-3/h4H,1,5-8H2,2-3H3.
What are the key properties of ethyl 2-[ethyl(prop-2-enyl)amino]acetate?
ethyl 2-[ethyl(prop-2-enyl)amino]acetate has a molecular weight of 171.24 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 19387820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).