propan-2-yl 2-azidoacetate

C5H9N3O2 — CID 58683421

IUPACpropan-2-yl 2-azidoacetate
SMILESCC(C)OC(=O)CN=[N+]=[N-]
InChIInChI=1S/C5H9N3O2/c1-4(2)10-5(9)3-7-8-6/h4H,3H2,1-2H3
InChIKeyLIAQWMMMURSPPX-UHFFFAOYSA-N
MW143.15 g/mol
LogP1.25
Rot. Bonds3

About propan-2-yl 2-azidoacetate

propan-2-yl 2-azidoacetate (PubChem CID 58683421) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is propan-2-yl 2-azidoacetate.

Molecular Properties

Compound Namepropan-2-yl 2-azidoacetate
PubChem CID58683421
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Namepropan-2-yl 2-azidoacetate
SMILESCC(C)OC(=O)CN=[N+]=[N-]
InChIInChI=1S/C5H9N3O2/c1-4(2)10-5(9)3-7-8-6/h4H,3H2,1-2H3
InChIKeyLIAQWMMMURSPPX-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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Related Compounds

Acetic acid, azido-, ethyl ester
CID 69480
Tert-butyl 2-azidoacetate
CID 145863
Ethyl 2-azidopropanoate
CID 11744745
2-Azidoethyl acetate
CID 12018519
Butyl azidoacetate
CID 61372922
(2-Acetyloxy-3-azidopropyl) acetate
CID 21726370
(2-Ethoxy-2-oxoethyl)imino-iminoazanium
CID 6332328
3-Azidobutan-2-yl acetate
CID 12481576
(R)-ethyl-2-azidopropionate
CID 12642256
Ethyl 2-diazenylacetate
CID 15212472
Ethyl (2S)-2-azidopropanoate
CID 15266179
Isopropyl isocyanoacetate
CID 18953452

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-azidoacetate?
The IUPAC name of propan-2-yl 2-azidoacetate (CID 58683421) is propan-2-yl 2-azidoacetate.
What is the SMILES notation for propan-2-yl 2-azidoacetate?
The canonical SMILES for propan-2-yl 2-azidoacetate is CC(C)OC(=O)CN=[N+]=[N-].
What is the InChIKey of propan-2-yl 2-azidoacetate?
The InChIKey is LIAQWMMMURSPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-4(2)10-5(9)3-7-8-6/h4H,3H2,1-2H3.
What are the key properties of propan-2-yl 2-azidoacetate?
propan-2-yl 2-azidoacetate 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 propan-2-yl 2-azidoacetate is sourced from PubChem (CID 58683421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).