[(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol

C10H11N3O2 — CID 11074513

IUPAC[(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol
SMILES[N-]=[N+]=N[C@]1(CO)OC[C@H]1c1ccccc1
InChIInChI=1S/C10H11N3O2/c11-13-12-10(7-14)9(6-15-10)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2/t9-,10+/m0/s1
InChIKeyDDJAQEQEKZESDZ-VHSXEESVSA-N
MW205.22 g/mol
LogP1.80
Rot. Bonds3

About [(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol

[(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol (PubChem CID 11074513) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is [(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol
PubChem CID11074513
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name[(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol
SMILES[N-]=[N+]=N[C@]1(CO)OC[C@H]1c1ccccc1
InChIInChI=1S/C10H11N3O2/c11-13-12-10(7-14)9(6-15-10)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2/t9-,10+/m0/s1
InChIKeyDDJAQEQEKZESDZ-VHSXEESVSA-N
XLogP1.80
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
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

[(3aR,6R,7S,7aR)-6-azido-2,2-dimethyl-7-phenylmethoxy-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methanol
CID 102462898
(2R,3R,5S)-2-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90897969
[(1R,2R)-2-(azidomethyl)-2-iodocyclopropyl]benzene
CID 10859519
[(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol
CID 101480035
5-azido-2-phenyl-1,3-dioxane
CID 59511058
[8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 5051864
(4R,5R)-4-[(1S)-1-azido-2-hydroxyethyl]-2-phenyl-1,3-dioxan-5-ol
CID 90061342
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081
(2R,3S,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-2-azido-2-(hydroxymethyl)oxolane-3,4-diol
CID 118068928
(2S,3R)-2-azido-2-methyl-3-phenyl-1,4-dithiane
CID 15437935
[(4aR,6S,7S,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-prop-2-enoxy-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl]methanol
CID 101096586
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol?
The IUPAC name of [(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol (CID 11074513) is [(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol?
The canonical SMILES for [(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol is [N-]=[N+]=N[C@]1(CO)OC[C@H]1c1ccccc1.
What is the InChIKey of [(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol?
The InChIKey is DDJAQEQEKZESDZ-VHSXEESVSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-13-12-10(7-14)9(6-15-10)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2/t9-,10+/m0/s1.
What are the key properties of [(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol?
[(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol has a molecular weight of 205.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-azido-3-phenyloxetan-2-yl]methanol is sourced from PubChem (CID 11074513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).