methyl 2-azidoacetate

C3H5N3O2 — CID 4020482

IUPACmethyl 2-azidoacetate
SMILESCOC(=O)CN=[N+]=[N-]
InChIInChI=1S/C3H5N3O2/c1-8-3(7)2-5-6-4/h2H2,1H3
InChIKeyRXYCUKSOYJWGPE-UHFFFAOYSA-N
MW115.09 g/mol
LogP0.47
Rot. Bonds2

About methyl 2-azidoacetate

methyl 2-azidoacetate (PubChem CID 4020482) has the molecular formula C3H5N3O2 and a molecular weight of 115.09 g/mol. Its IUPAC name is methyl 2-azidoacetate.

Molecular Properties

Compound Namemethyl 2-azidoacetate
PubChem CID4020482
Molecular FormulaC3H5N3O2
Molecular Weight115.09 g/mol
Exact Mass115.04
IUPAC Namemethyl 2-azidoacetate
SMILESCOC(=O)CN=[N+]=[N-]
InChIInChI=1S/C3H5N3O2/c1-8-3(7)2-5-6-4/h2H2,1H3
InChIKeyRXYCUKSOYJWGPE-UHFFFAOYSA-N
XLogP0.47
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 50.47
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'}

Analyze methyl 2-azidoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-azidoacetate?
The IUPAC name of methyl 2-azidoacetate (CID 4020482) is methyl 2-azidoacetate.
What is the SMILES notation for methyl 2-azidoacetate?
The canonical SMILES for methyl 2-azidoacetate is COC(=O)CN=[N+]=[N-].
What is the InChIKey of methyl 2-azidoacetate?
The InChIKey is RXYCUKSOYJWGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2/c1-8-3(7)2-5-6-4/h2H2,1H3.
What are the key properties of methyl 2-azidoacetate?
methyl 2-azidoacetate has a molecular weight of 115.09 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-azidoacetate is sourced from PubChem (CID 4020482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).