(2S)-2-azido-3-methyloxirane

C3H5N3O — CID 141301060

IUPAC(2S)-2-azido-3-methyloxirane
SMILESCC1O[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C3H5N3O/c1-2-3(7-2)5-6-4/h2-3H,1H3/t2?,3-/m0/s1
InChIKeyPZDNGWPWVHSZRP-NFJMKROFSA-N
MW99.09 g/mol
LogP1.04
Rot. Bonds1

About (2S)-2-azido-3-methyloxirane

(2S)-2-azido-3-methyloxirane (PubChem CID 141301060) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is (2S)-2-azido-3-methyloxirane.

Molecular Properties

Compound Name(2S)-2-azido-3-methyloxirane
PubChem CID141301060
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Name(2S)-2-azido-3-methyloxirane
SMILESCC1O[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C3H5N3O/c1-2-3(7-2)5-6-4/h2-3H,1H3/t2?,3-/m0/s1
InChIKeyPZDNGWPWVHSZRP-NFJMKROFSA-N
XLogP1.04
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 51.04
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,3-diazidooxirane
CID 135383367
(4S,5S)-3-azido-2,4,5,6-tetramethyloxane
CID 161426107
[(3S,6R)-4,5-diacetyloxy-6-azido-2-methyloxan-3-yl] acetate
CID 133118759
(2-azido-4,5,6-trimethyloxan-3-yl) acetate
CID 121403642
(4R,5R,6S)-4-azido-6-methyloxane-2,5-diol
CID 16679756
(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154
2-[2-azido-3,5-bis(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid
CID 129048071
2-(diazidomethyl)-3-methyloxirane
CID 172702712
(2R,3R,4R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124746214
(2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
CID 140539179
trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane
CID 10749143
(2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol
CID 101338794

Frequently Asked Questions

What is the IUPAC name of (2S)-2-azido-3-methyloxirane?
The IUPAC name of (2S)-2-azido-3-methyloxirane (CID 141301060) is (2S)-2-azido-3-methyloxirane.
What is the SMILES notation for (2S)-2-azido-3-methyloxirane?
The canonical SMILES for (2S)-2-azido-3-methyloxirane is CC1O[C@@H]1N=[N+]=[N-].
What is the InChIKey of (2S)-2-azido-3-methyloxirane?
The InChIKey is PZDNGWPWVHSZRP-NFJMKROFSA-N. The full InChI is InChI=1S/C3H5N3O/c1-2-3(7-2)5-6-4/h2-3H,1H3/t2?,3-/m0/s1.
What are the key properties of (2S)-2-azido-3-methyloxirane?
(2S)-2-azido-3-methyloxirane has a molecular weight of 99.09 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azido-3-methyloxirane is sourced from PubChem (CID 141301060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).