tris(3-amino-2-oxopropyl) phosphate

C9H18N3O7P — CID 23615185

IUPACtris(3-amino-2-oxopropyl) phosphate
SMILESNCC(=O)COP(=O)(OCC(=O)CN)OCC(=O)CN
InChIInChI=1S/C9H18N3O7P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h1-6,10-12H2
InChIKeyHDQLAABFDYDIQS-UHFFFAOYSA-N
MW311.23 g/mol
LogP-2.27
Rot. Bonds12

About tris(3-amino-2-oxopropyl) phosphate

tris(3-amino-2-oxopropyl) phosphate (PubChem CID 23615185) has the molecular formula C9H18N3O7P and a molecular weight of 311.23 g/mol. Its IUPAC name is tris(3-amino-2-oxopropyl) phosphate.

Molecular Properties

Compound Nametris(3-amino-2-oxopropyl) phosphate
PubChem CID23615185
Molecular FormulaC9H18N3O7P
Molecular Weight311.23 g/mol
Exact Mass311.09
IUPAC Nametris(3-amino-2-oxopropyl) phosphate
SMILESNCC(=O)COP(=O)(OCC(=O)CN)OCC(=O)CN
InChIInChI=1S/C9H18N3O7P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h1-6,10-12H2
InChIKeyHDQLAABFDYDIQS-UHFFFAOYSA-N
XLogP-2.27
TPSA174.03 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 5-2.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tris(3-amino-2-oxopropyl) 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 tris(3-amino-2-oxopropyl) phosphate?
The IUPAC name of tris(3-amino-2-oxopropyl) phosphate (CID 23615185) is tris(3-amino-2-oxopropyl) phosphate.
What is the SMILES notation for tris(3-amino-2-oxopropyl) phosphate?
The canonical SMILES for tris(3-amino-2-oxopropyl) phosphate is NCC(=O)COP(=O)(OCC(=O)CN)OCC(=O)CN.
What is the InChIKey of tris(3-amino-2-oxopropyl) phosphate?
The InChIKey is HDQLAABFDYDIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N3O7P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h1-6,10-12H2.
What are the key properties of tris(3-amino-2-oxopropyl) phosphate?
tris(3-amino-2-oxopropyl) phosphate has a molecular weight of 311.23 g/mol, XLogP of -2.27, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-amino-2-oxopropyl) phosphate is sourced from PubChem (CID 23615185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).