(2R,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane

C9H17N3O — CID 125456756

IUPAC(2R,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane
SMILESCC[C@H](C)[C@@H]1CO[C@@H](CN=[N+]=[N-])C1
InChIInChI=1S/C9H17N3O/c1-3-7(2)8-4-9(13-6-8)5-11-12-10/h7-9H,3-6H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyRCLOLAGREIMKLB-XHNCKOQMSA-N
MW183.25 g/mol
LogP2.75
Rot. Bonds4

About (2R,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane

(2R,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane (PubChem CID 125456756) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (2R,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane.

Molecular Properties

Compound Name(2R,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane
PubChem CID125456756
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(2R,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane
SMILESCC[C@H](C)[C@@H]1CO[C@@H](CN=[N+]=[N-])C1
InChIInChI=1S/C9H17N3O/c1-3-7(2)8-4-9(13-6-8)5-11-12-10/h7-9H,3-6H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyRCLOLAGREIMKLB-XHNCKOQMSA-N
XLogP2.75
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-(2-Azidopropan-2-yl)-3,4,5-trimethyloxolane
CID 54026763
(2R,3R)-4-azido-2-ethyl-3,5-dimethyloxolane
CID 58834030
(2S,3S,5S)-2-[(1R)-1-azidopentyl]-3-methyl-5-tritiooxolane
CID 126586504
(2R,4S)-2-(azidomethyl)-4-cyclopentyloxolane
CID 125455585
(2S,4R)-2-(azidomethyl)-4-cyclopentyloxolane
CID 125455586
(2R,4R)-2-(azidomethyl)-4-cyclopentyloxolane
CID 125455587
(2S,4S)-2-(azidomethyl)-4-cyclopentyloxolane
CID 125455588
(2R,4S)-2-(azidomethyl)-4-methyloxolane
CID 125456406
(2R,4R)-2-(azidomethyl)-4-methyloxolane
CID 125456409
(2S,4R)-2-(azidomethyl)-4-methyloxolane
CID 125456410
(2S,4S)-2-(azidomethyl)-4-methyloxolane
CID 125456412
(2S,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane
CID 125456753

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane?
The IUPAC name of (2R,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane (CID 125456756) is (2R,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane.
What is the SMILES notation for (2R,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane?
The canonical SMILES for (2R,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane is CC[C@H](C)[C@@H]1CO[C@@H](CN=[N+]=[N-])C1.
What is the InChIKey of (2R,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane?
The InChIKey is RCLOLAGREIMKLB-XHNCKOQMSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-7(2)8-4-9(13-6-8)5-11-12-10/h7-9H,3-6H2,1-2H3/t7-,8-,9+/m0/s1.
What are the key properties of (2R,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane?
(2R,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane has a molecular weight of 183.25 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(azidomethyl)-4-[(2S)-butan-2-yl]oxolane is sourced from PubChem (CID 125456756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).