(1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

C8H14N4O3 — CID 129164149

IUPAC(1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILES[H]/N=C/[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CN=[N+]=[N-]
InChIInChI=1S/C8H14N4O3/c1-8(2)14-6(3-9)7(15-8)5(13)4-11-12-10/h3,5-7,9,13H,4H2,1-2H3/b9-3+/t5-,6-,7-/m1/s1
InChIKeyYAXSKMCPKNIAHX-VOSZQDFKSA-N
MW214.23 g/mol
LogP0.83
Rot. Bonds4

About (1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

(1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 129164149) has the molecular formula C8H14N4O3 and a molecular weight of 214.23 g/mol. Its IUPAC name is (1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
PubChem CID129164149
Molecular FormulaC8H14N4O3
Molecular Weight214.23 g/mol
Exact Mass214.11
IUPAC Name(1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILES[H]/N=C/[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CN=[N+]=[N-]
InChIInChI=1S/C8H14N4O3/c1-8(2)14-6(3-9)7(15-8)5(13)4-11-12-10/h3,5-7,9,13H,4H2,1-2H3/b9-3+/t5-,6-,7-/m1/s1
InChIKeyYAXSKMCPKNIAHX-VOSZQDFKSA-N
XLogP0.83
TPSA111.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of (1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (CID 129164149) is (1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for (1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for (1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is [H]/N=C/[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CN=[N+]=[N-].
What is the InChIKey of (1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is YAXSKMCPKNIAHX-VOSZQDFKSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-8(2)14-6(3-9)7(15-8)5(13)4-11-12-10/h3,5-7,9,13H,4H2,1-2H3/b9-3+/t5-,6-,7-/m1/s1.
What are the key properties of (1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
(1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 214.23 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-azido-1-[(4R,5R)-5-methanimidoyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 129164149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).