ethyl 2-azido-2-methylpropanoate

C6H11N3O2 — CID 11977344

IUPACethyl 2-azido-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)N=[N+]=[N-]
InChIInChI=1S/C6H11N3O2/c1-4-11-5(10)6(2,3)8-9-7/h4H2,1-3H3
InChIKeyMBZXZCVEFCLXRV-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.64
Rot. Bonds3

About ethyl 2-azido-2-methylpropanoate

ethyl 2-azido-2-methylpropanoate (PubChem CID 11977344) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is ethyl 2-azido-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-azido-2-methylpropanoate
PubChem CID11977344
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Nameethyl 2-azido-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)N=[N+]=[N-]
InChIInChI=1S/C6H11N3O2/c1-4-11-5(10)6(2,3)8-9-7/h4H2,1-3H3
InChIKeyMBZXZCVEFCLXRV-UHFFFAOYSA-N
XLogP1.64
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.64
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 ethyl 2-azido-2-methylpropanoate with MolForge

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

Launch Full Analysis

Related Compounds

1,1'-Dimethyl 2,2'-(1,2-diazenediyl)bis(2-methylpropanoate)
CID 75763
Ethyl 2-isocyano-2-methylpropanoate
CID 4260017
1-Propanol, 2,2'-(1,2-diazenediyl)bis[2-methyl-, 1,1'-diacetate
CID 73887
Ethyl 2-azidopropanoate
CID 11744745
2-Azido-2-methyl-propionic acid 2-hydroxy-ethyl ester
CID 86625106
Diethyl 2,2'-diazenediylbis(2-methylpropanoate)
CID 11482313
Ethyl 2-diazenyl-3,3,3-trifluoro-2-methylpropanoate
CID 124188837
Diethyl 2-azido-2-methylpropanedioate
CID 11264381
(Z)-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)-oxidoazaniumylidene]-oxidoazanium
CID 137283948
2-Azido-2-methylpropanoic anhydride
CID 9942820
Propyl 2-methyl-2-[(2-methyl-1-oxo-1-propoxypropan-2-yl)diazenyl]propanoate
CID 12384775
Propan-2-yl 2-methyl-2-[(2-methyl-1-oxo-1-propan-2-yloxypropan-2-yl)diazenyl]propanoate
CID 12384776

Frequently Asked Questions

What is the IUPAC name of ethyl 2-azido-2-methylpropanoate?
The IUPAC name of ethyl 2-azido-2-methylpropanoate (CID 11977344) is ethyl 2-azido-2-methylpropanoate.
What is the SMILES notation for ethyl 2-azido-2-methylpropanoate?
The canonical SMILES for ethyl 2-azido-2-methylpropanoate is CCOC(=O)C(C)(C)N=[N+]=[N-].
What is the InChIKey of ethyl 2-azido-2-methylpropanoate?
The InChIKey is MBZXZCVEFCLXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-4-11-5(10)6(2,3)8-9-7/h4H2,1-3H3.
What are the key properties of ethyl 2-azido-2-methylpropanoate?
ethyl 2-azido-2-methylpropanoate has a molecular weight of 157.17 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-azido-2-methylpropanoate is sourced from PubChem (CID 11977344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).