(5R)-5-[(1S)-1-azidoethyl]oxolan-2-one

C6H9N3O2 — CID 10654455

IUPAC(5R)-5-[(1S)-1-azidoethyl]oxolan-2-one
SMILESC[C@H](N=[N+]=[N-])[C@H]1CCC(=O)O1
InChIInChI=1S/C6H9N3O2/c1-4(8-9-7)5-2-3-6(10)11-5/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyVBLXLEABIXEVNH-CRCLSJGQSA-N
MW155.16 g/mol
LogP1.39
Rot. Bonds2

About (5R)-5-[(1S)-1-azidoethyl]oxolan-2-one

(5R)-5-[(1S)-1-azidoethyl]oxolan-2-one (PubChem CID 10654455) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (5R)-5-[(1S)-1-azidoethyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1S)-1-azidoethyl]oxolan-2-one
PubChem CID10654455
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(5R)-5-[(1S)-1-azidoethyl]oxolan-2-one
SMILESC[C@H](N=[N+]=[N-])[C@H]1CCC(=O)O1
InChIInChI=1S/C6H9N3O2/c1-4(8-9-7)5-2-3-6(10)11-5/h4-5H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyVBLXLEABIXEVNH-CRCLSJGQSA-N
XLogP1.39
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.39
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

5-(1-Aminoethyl)oxolan-2-one
CID 55289249
(3R)-5-(1-azidoethyl)-3-methyloxolan-2-one
CID 59881759
(5S)-5-(1-nitrosoethyl)oxolan-2-one
CID 121404215
3-Azido-5-ethyloxolan-2-one
CID 139940372
(3R,5S)-3-amino-5-[(1R)-1-aminoethyl]oxolan-2-one
CID 163653443
ethyl 2-[(2R,4S)-4-azido-5-oxooxolan-2-yl]acetate
CID 11009280
(5S)-5-[(1S)-1-azidoethyl]oxolan-2-one
CID 15428186
5-(1-Azidoethyl)-3-methyloxolan-2-one
CID 20714476
methyl (8S)-8-azido-8-[(2R)-5-oxooxolan-2-yl]octanoate
CID 21635153
(5S)-5-[(1S)-1-azido-2-hydroxyethyl]oxolan-2-one
CID 25188741
(5R)-5-[(1R)-1-aminoethyl]oxolan-2-one
CID 55284209
(5S)-5-[(1S)-1-aminoethyl]oxolan-2-one
CID 130757519

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-1-azidoethyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1S)-1-azidoethyl]oxolan-2-one (CID 10654455) is (5R)-5-[(1S)-1-azidoethyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1S)-1-azidoethyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1S)-1-azidoethyl]oxolan-2-one is C[C@H](N=[N+]=[N-])[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1S)-1-azidoethyl]oxolan-2-one?
The InChIKey is VBLXLEABIXEVNH-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4(8-9-7)5-2-3-6(10)11-5/h4-5H,2-3H2,1H3/t4-,5+/m0/s1.
What are the key properties of (5R)-5-[(1S)-1-azidoethyl]oxolan-2-one?
(5R)-5-[(1S)-1-azidoethyl]oxolan-2-one has a molecular weight of 155.16 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-1-azidoethyl]oxolan-2-one is sourced from PubChem (CID 10654455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).