6-[(2-azidoacetyl)amino]hexyl methyl phosphate

C9H18N4O5P- — CID 59620616

IUPAC6-[(2-azidoacetyl)amino]hexyl methyl phosphate
SMILESCOP(=O)([O-])OCCCCCCNC(=O)CN=[N+]=[N-]
InChIInChI=1S/C9H19N4O5P/c1-17-19(15,16)18-7-5-3-2-4-6-11-9(14)8-12-13-10/h2-8H2,1H3,(H,11,14)(H,15,16)/p-1
InChIKeyMGXVXHQDBHJJTI-UHFFFAOYSA-M
MW293.24 g/mol
LogP1.10
Rot. Bonds11

About 6-[(2-azidoacetyl)amino]hexyl methyl phosphate

6-[(2-azidoacetyl)amino]hexyl methyl phosphate (PubChem CID 59620616) has the molecular formula C9H18N4O5P- and a molecular weight of 293.24 g/mol. Its IUPAC name is 6-[(2-azidoacetyl)amino]hexyl methyl phosphate.

Molecular Properties

Compound Name6-[(2-azidoacetyl)amino]hexyl methyl phosphate
PubChem CID59620616
Molecular FormulaC9H18N4O5P-
Molecular Weight293.24 g/mol
Exact Mass293.10
IUPAC Name6-[(2-azidoacetyl)amino]hexyl methyl phosphate
SMILESCOP(=O)([O-])OCCCCCCNC(=O)CN=[N+]=[N-]
InChIInChI=1S/C9H19N4O5P/c1-17-19(15,16)18-7-5-3-2-4-6-11-9(14)8-12-13-10/h2-8H2,1H3,(H,11,14)(H,15,16)/p-1
InChIKeyMGXVXHQDBHJJTI-UHFFFAOYSA-M
XLogP1.10
TPSA136.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 6-[(2-azidoacetyl)amino]hexyl methyl phosphate 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 6-[(2-azidoacetyl)amino]hexyl methyl phosphate?
The IUPAC name of 6-[(2-azidoacetyl)amino]hexyl methyl phosphate (CID 59620616) is 6-[(2-azidoacetyl)amino]hexyl methyl phosphate.
What is the SMILES notation for 6-[(2-azidoacetyl)amino]hexyl methyl phosphate?
The canonical SMILES for 6-[(2-azidoacetyl)amino]hexyl methyl phosphate is COP(=O)([O-])OCCCCCCNC(=O)CN=[N+]=[N-].
What is the InChIKey of 6-[(2-azidoacetyl)amino]hexyl methyl phosphate?
The InChIKey is MGXVXHQDBHJJTI-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19N4O5P/c1-17-19(15,16)18-7-5-3-2-4-6-11-9(14)8-12-13-10/h2-8H2,1H3,(H,11,14)(H,15,16)/p-1.
What are the key properties of 6-[(2-azidoacetyl)amino]hexyl methyl phosphate?
6-[(2-azidoacetyl)amino]hexyl methyl phosphate has a molecular weight of 293.24 g/mol, XLogP of 1.10, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-azidoacetyl)amino]hexyl methyl phosphate is sourced from PubChem (CID 59620616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).