(1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate

C5H14NO5P — CID 90329165

IUPAC(1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate
SMILESCOCC(CN)OP(=O)(O)OC
InChIInChI=1S/C5H14NO5P/c1-9-4-5(3-6)11-12(7,8)10-2/h5H,3-4,6H2,1-2H3,(H,7,8)
InChIKeyJOVKMWNEHLUVQB-UHFFFAOYSA-N
MW199.14 g/mol
LogP-0.28
Rot. Bonds6

About (1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate

(1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate (PubChem CID 90329165) has the molecular formula C5H14NO5P and a molecular weight of 199.14 g/mol. Its IUPAC name is (1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate.

Molecular Properties

Compound Name(1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate
PubChem CID90329165
Molecular FormulaC5H14NO5P
Molecular Weight199.14 g/mol
Exact Mass199.06
IUPAC Name(1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate
SMILESCOCC(CN)OP(=O)(O)OC
InChIInChI=1S/C5H14NO5P/c1-9-4-5(3-6)11-12(7,8)10-2/h5H,3-4,6H2,1-2H3,(H,7,8)
InChIKeyJOVKMWNEHLUVQB-UHFFFAOYSA-N
XLogP-0.28
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1-amino-3-methoxypropan-2-yl) methyl hydrogen 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 (1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate?
The IUPAC name of (1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate (CID 90329165) is (1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate.
What is the SMILES notation for (1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate?
The canonical SMILES for (1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate is COCC(CN)OP(=O)(O)OC.
What is the InChIKey of (1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate?
The InChIKey is JOVKMWNEHLUVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO5P/c1-9-4-5(3-6)11-12(7,8)10-2/h5H,3-4,6H2,1-2H3,(H,7,8).
What are the key properties of (1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate?
(1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate has a molecular weight of 199.14 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate is sourced from PubChem (CID 90329165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).