(2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane

C9H17N3O2 — CID 98010095

IUPAC(2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane
SMILESC[C@@H](CCN=[N+]=[N-])O[C@@H]1CCCCO1
InChIInChI=1S/C9H17N3O2/c1-8(5-6-11-12-10)14-9-4-2-3-7-13-9/h8-9H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyUWHTWSUSWHFFQN-DTWKUNHWSA-N
MW199.25 g/mol
LogP2.62
Rot. Bonds5

About (2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane

(2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane (PubChem CID 98010095) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane.

Molecular Properties

Compound Name(2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane
PubChem CID98010095
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane
SMILESC[C@@H](CCN=[N+]=[N-])O[C@@H]1CCCCO1
InChIInChI=1S/C9H17N3O2/c1-8(5-6-11-12-10)14-9-4-2-3-7-13-9/h8-9H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyUWHTWSUSWHFFQN-DTWKUNHWSA-N
XLogP2.62
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.62
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 (2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane 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

(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
2-butan-2-yloxyoxane
CID 559028
2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818
2-[(2S)-6-iodohexan-2-yl]oxyoxane
CID 11659617
(2S)-2-hept-6-en-2-yloxyoxane
CID 139755185
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate
CID 11746035
2-(oxan-2-yloxy)propylhydrazine
CID 175028715
tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane
CID 101016623
3-(oxan-2-yloxy)butanoic acid
CID 14279636
2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]oxyoxane
CID 11184433

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane?
The IUPAC name of (2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane (CID 98010095) is (2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane.
What is the SMILES notation for (2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane?
The canonical SMILES for (2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane is C[C@@H](CCN=[N+]=[N-])O[C@@H]1CCCCO1.
What is the InChIKey of (2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane?
The InChIKey is UWHTWSUSWHFFQN-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-8(5-6-11-12-10)14-9-4-2-3-7-13-9/h8-9H,2-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane?
(2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane has a molecular weight of 199.25 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane is sourced from PubChem (CID 98010095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).