ethyl 2-(ethenylamino)butanoate

C8H15NO2 — CID 144998787

IUPACethyl 2-(ethenylamino)butanoate
SMILESC=CNC(CC)C(=O)OCC
InChIInChI=1S/C8H15NO2/c1-4-7(9-5-2)8(10)11-6-3/h5,7,9H,2,4,6H2,1,3H3
InChIKeyQAPHQRCLZILPKO-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.06
Rot. Bonds5

About ethyl 2-(ethenylamino)butanoate

ethyl 2-(ethenylamino)butanoate (PubChem CID 144998787) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl 2-(ethenylamino)butanoate.

Molecular Properties

Compound Nameethyl 2-(ethenylamino)butanoate
PubChem CID144998787
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl 2-(ethenylamino)butanoate
SMILESC=CNC(CC)C(=O)OCC
InChIInChI=1S/C8H15NO2/c1-4-7(9-5-2)8(10)11-6-3/h5,7,9H,2,4,6H2,1,3H3
InChIKeyQAPHQRCLZILPKO-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethenylamino)butanoate?
The IUPAC name of ethyl 2-(ethenylamino)butanoate (CID 144998787) is ethyl 2-(ethenylamino)butanoate.
What is the SMILES notation for ethyl 2-(ethenylamino)butanoate?
The canonical SMILES for ethyl 2-(ethenylamino)butanoate is C=CNC(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethenylamino)butanoate?
The InChIKey is QAPHQRCLZILPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-7(9-5-2)8(10)11-6-3/h5,7,9H,2,4,6H2,1,3H3.
What are the key properties of ethyl 2-(ethenylamino)butanoate?
ethyl 2-(ethenylamino)butanoate has a molecular weight of 157.21 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethenylamino)butanoate is sourced from PubChem (CID 144998787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).