ethyl 2-(prop-2-enylamino)propanoate

C8H15NO2 — CID 13326681

IUPACethyl 2-(prop-2-enylamino)propanoate
SMILESC=CCNC(C)C(=O)OCC
InChIInChI=1S/C8H15NO2/c1-4-6-9-7(3)8(10)11-5-2/h4,7,9H,1,5-6H2,2-3H3
InChIKeyNAHCTSFWTYLAIW-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.71
Rot. Bonds5

About ethyl 2-(prop-2-enylamino)propanoate

ethyl 2-(prop-2-enylamino)propanoate (PubChem CID 13326681) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl 2-(prop-2-enylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(prop-2-enylamino)propanoate
PubChem CID13326681
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl 2-(prop-2-enylamino)propanoate
SMILESC=CCNC(C)C(=O)OCC
InChIInChI=1S/C8H15NO2/c1-4-6-9-7(3)8(10)11-5-2/h4,7,9H,1,5-6H2,2-3H3
InChIKeyNAHCTSFWTYLAIW-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
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-(prop-2-enylamino)propanoate?
The IUPAC name of ethyl 2-(prop-2-enylamino)propanoate (CID 13326681) is ethyl 2-(prop-2-enylamino)propanoate.
What is the SMILES notation for ethyl 2-(prop-2-enylamino)propanoate?
The canonical SMILES for ethyl 2-(prop-2-enylamino)propanoate is C=CCNC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-(prop-2-enylamino)propanoate?
The InChIKey is NAHCTSFWTYLAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-6-9-7(3)8(10)11-5-2/h4,7,9H,1,5-6H2,2-3H3.
What are the key properties of ethyl 2-(prop-2-enylamino)propanoate?
ethyl 2-(prop-2-enylamino)propanoate has a molecular weight of 157.21 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(prop-2-enylamino)propanoate is sourced from PubChem (CID 13326681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).