methyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

C11H19N3O4 — CID 101341687

IUPACmethyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](CCN=[N+]=[N-])OC(C)(C)O1
InChIInChI=1S/C11H19N3O4/c1-11(2)17-8(4-5-13-14-12)6-9(18-11)7-10(15)16-3/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyVGWPAOWVOWMHBG-RKDXNWHRSA-N
MW257.29 g/mol
LogP2.16
Rot. Bonds5

About methyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

methyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate (PubChem CID 101341687) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
PubChem CID101341687
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Namemethyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](CCN=[N+]=[N-])OC(C)(C)O1
InChIInChI=1S/C11H19N3O4/c1-11(2)17-8(4-5-13-14-12)6-9(18-11)7-10(15)16-3/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyVGWPAOWVOWMHBG-RKDXNWHRSA-N
XLogP2.16
TPSA93.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze methyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The IUPAC name of methyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CID 101341687) is methyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for methyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The canonical SMILES for methyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate is COC(=O)C[C@H]1C[C@@H](CCN=[N+]=[N-])OC(C)(C)O1.
What is the InChIKey of methyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The InChIKey is VGWPAOWVOWMHBG-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-11(2)17-8(4-5-13-14-12)6-9(18-11)7-10(15)16-3/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of methyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
methyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate has a molecular weight of 257.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R,6R)-6-(2-azidoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 101341687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).