ethenyl 2-aminopropanoate

C5H9NO2 — CID 23374910

IUPACethenyl 2-aminopropanoate
SMILESC=COC(=O)C(C)N
InChIInChI=1S/C5H9NO2/c1-3-8-5(7)4(2)6/h3-4H,1,6H2,2H3
InChIKeyCGEZKNASTXJNKC-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.02
Rot. Bonds2

About ethenyl 2-aminopropanoate

ethenyl 2-aminopropanoate (PubChem CID 23374910) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is ethenyl 2-aminopropanoate.

Molecular Properties

Compound Nameethenyl 2-aminopropanoate
PubChem CID23374910
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Nameethenyl 2-aminopropanoate
SMILESC=COC(=O)C(C)N
InChIInChI=1S/C5H9NO2/c1-3-8-5(7)4(2)6/h3-4H,1,6H2,2H3
InChIKeyCGEZKNASTXJNKC-UHFFFAOYSA-N
XLogP0.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 2-aminopropanoate?
The IUPAC name of ethenyl 2-aminopropanoate (CID 23374910) is ethenyl 2-aminopropanoate.
What is the SMILES notation for ethenyl 2-aminopropanoate?
The canonical SMILES for ethenyl 2-aminopropanoate is C=COC(=O)C(C)N.
What is the InChIKey of ethenyl 2-aminopropanoate?
The InChIKey is CGEZKNASTXJNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-8-5(7)4(2)6/h3-4H,1,6H2,2H3.
What are the key properties of ethenyl 2-aminopropanoate?
ethenyl 2-aminopropanoate has a molecular weight of 115.13 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-aminopropanoate is sourced from PubChem (CID 23374910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).