3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid

C8H14N4O3 — CID 82718325

IUPAC3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid
SMILESCC1OCCC1(NCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C8H14N4O3/c1-6-8(7(13)14,2-5-15-6)10-3-4-11-12-9/h6,10H,2-5H2,1H3,(H,13,14)
InChIKeyQWOSPHDAIUIBLU-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.52
Rot. Bonds5

About 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid

3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid (PubChem CID 82718325) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid
PubChem CID82718325
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid
SMILESCC1OCCC1(NCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C8H14N4O3/c1-6-8(7(13)14,2-5-15-6)10-3-4-11-12-9/h6,10H,2-5H2,1H3,(H,13,14)
InChIKeyQWOSPHDAIUIBLU-UHFFFAOYSA-N
XLogP0.52
TPSA107.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid 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

ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate
CID 82718490
2-methyl-3-(propylamino)oxolane-3-carboxylic acid
CID 82718479
1-(2-azidoethylamino)-2,3-dimethylcyclohexane-1-carboxylic acid
CID 66188811
1-(2-azidoethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 66189204
1-(2-azidoethylamino)cyclopropane-1-carboxylic acid
CID 103439548
1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide
CID 66189857
1-(3-azidopropylamino)-2-methylcyclohexane-1-carboxylic acid
CID 66190289
3-(cyclopentylamino)-2-methyloxolane-3-carboxylic acid
CID 82719422
1-(2-azidoethylamino)cyclopentane-1-carboxylic acid
CID 66189809
1-(2-azidoethylamino)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 66190207
3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxamide
CID 82717987
methyl 4-(2-azidoethylamino)-2-ethyloxane-4-carboxylate
CID 66189817

Frequently Asked Questions

What is the IUPAC name of 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid?
The IUPAC name of 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid (CID 82718325) is 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid?
The canonical SMILES for 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid is CC1OCCC1(NCCN=[N+]=[N-])C(=O)O.
What is the InChIKey of 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid?
The InChIKey is QWOSPHDAIUIBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-6-8(7(13)14,2-5-15-6)10-3-4-11-12-9/h6,10H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid?
3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 82718325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).