ethyl 2-azidopropanoate

C5H9N3O2 — CID 11744745

IUPACethyl 2-azidopropanoate
SMILESCCOC(=O)C(C)N=[N+]=[N-]
InChIInChI=1S/C5H9N3O2/c1-3-10-5(9)4(2)7-8-6/h4H,3H2,1-2H3
InChIKeyLSSJUKDVBOYWHG-UHFFFAOYSA-N
MW143.15 g/mol
LogP1.25
Rot. Bonds3

About ethyl 2-azidopropanoate

ethyl 2-azidopropanoate (PubChem CID 11744745) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is ethyl 2-azidopropanoate.

Molecular Properties

Compound Nameethyl 2-azidopropanoate
PubChem CID11744745
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Nameethyl 2-azidopropanoate
SMILESCCOC(=O)C(C)N=[N+]=[N-]
InChIInChI=1S/C5H9N3O2/c1-3-10-5(9)4(2)7-8-6/h4H,3H2,1-2H3
InChIKeyLSSJUKDVBOYWHG-UHFFFAOYSA-N
XLogP1.25
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-azidopropanoate?
The IUPAC name of ethyl 2-azidopropanoate (CID 11744745) is ethyl 2-azidopropanoate.
What is the SMILES notation for ethyl 2-azidopropanoate?
The canonical SMILES for ethyl 2-azidopropanoate is CCOC(=O)C(C)N=[N+]=[N-].
What is the InChIKey of ethyl 2-azidopropanoate?
The InChIKey is LSSJUKDVBOYWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-3-10-5(9)4(2)7-8-6/h4H,3H2,1-2H3.
What are the key properties of ethyl 2-azidopropanoate?
ethyl 2-azidopropanoate has a molecular weight of 143.15 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-azidopropanoate is sourced from PubChem (CID 11744745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).