tert-butyl (2R)-2-azidoazetidine-1-carboxylate

C8H14N4O2 — CID 154710183

IUPACtert-butyl (2R)-2-azidoazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H]1N=[N+]=[N-]
InChIInChI=1S/C8H14N4O2/c1-8(2,3)14-7(13)12-5-4-6(12)10-11-9/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyNMQDOINQGAFOEF-LURJTMIESA-N
MW198.23 g/mol
LogP2.26
Rot. Bonds1

About tert-butyl (2R)-2-azidoazetidine-1-carboxylate

tert-butyl (2R)-2-azidoazetidine-1-carboxylate (PubChem CID 154710183) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is tert-butyl (2R)-2-azidoazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-azidoazetidine-1-carboxylate
PubChem CID154710183
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Nametert-butyl (2R)-2-azidoazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H]1N=[N+]=[N-]
InChIInChI=1S/C8H14N4O2/c1-8(2,3)14-7(13)12-5-4-6(12)10-11-9/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyNMQDOINQGAFOEF-LURJTMIESA-N
XLogP2.26
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.26
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

ditert-butyl (2S,3R)-3-azidopyrrolidine-1,2-dicarboxylate
CID 90135647
tert-butyl (2S)-2-(azidomethyl)azetidine-1-carboxylate
CID 123457284
tert-butyl (4R)-3-azido-4-hydroxypiperidine-1-carboxylate
CID 134386921
tert-butyl (2S,4R)-4-azido-2-methylpyrrolidine-1-carboxylate
CID 59556056
tert-butyl 3,4-diazidopiperidine-1-carboxylate
CID 76541415
1-O-tert-butyl 2-O-prop-2-enyl 3-azidopyrrolidine-1,2-dicarboxylate
CID 140503452
(2R,4S)-4-azido-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 14842622
tert-butyl 3-azidoazepane-1-carboxylate
CID 151358717
tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
CID 10657786
(2R,4R)-4-azido-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 91202469
tert-butyl (2R)-2-aminoazetidine-1-carboxylate
CID 25417768
tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate
CID 141408169

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-azidoazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-azidoazetidine-1-carboxylate (CID 154710183) is tert-butyl (2R)-2-azidoazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-azidoazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-azidoazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H]1N=[N+]=[N-].
What is the InChIKey of tert-butyl (2R)-2-azidoazetidine-1-carboxylate?
The InChIKey is NMQDOINQGAFOEF-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N4O2/c1-8(2,3)14-7(13)12-5-4-6(12)10-11-9/h6H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of tert-butyl (2R)-2-azidoazetidine-1-carboxylate?
tert-butyl (2R)-2-azidoazetidine-1-carboxylate has a molecular weight of 198.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-azidoazetidine-1-carboxylate is sourced from PubChem (CID 154710183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).