[2-amino-2-(hydroxymethyl)butyl] phosphorosoformate

C6H12NO4P — CID 58800394

IUPAC[2-amino-2-(hydroxymethyl)butyl] phosphorosoformate
SMILESCCC(N)(CO)COC(=O)P=O
InChIInChI=1S/C6H12NO4P/c1-2-6(7,3-8)4-11-5(9)12-10/h8H,2-4,7H2,1H3
InChIKeyOESCZBJJNOHGSX-UHFFFAOYSA-N
MW193.14 g/mol
LogP0.51
Rot. Bonds5

About [2-amino-2-(hydroxymethyl)butyl] phosphorosoformate

[2-amino-2-(hydroxymethyl)butyl] phosphorosoformate (PubChem CID 58800394) has the molecular formula C6H12NO4P and a molecular weight of 193.14 g/mol. Its IUPAC name is [2-amino-2-(hydroxymethyl)butyl] phosphorosoformate.

Molecular Properties

Compound Name[2-amino-2-(hydroxymethyl)butyl] phosphorosoformate
PubChem CID58800394
Molecular FormulaC6H12NO4P
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name[2-amino-2-(hydroxymethyl)butyl] phosphorosoformate
SMILESCCC(N)(CO)COC(=O)P=O
InChIInChI=1S/C6H12NO4P/c1-2-6(7,3-8)4-11-5(9)12-10/h8H,2-4,7H2,1H3
InChIKeyOESCZBJJNOHGSX-UHFFFAOYSA-N
XLogP0.51
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-amino-2-(hydroxymethyl)butyl] phosphorosoformate?
The IUPAC name of [2-amino-2-(hydroxymethyl)butyl] phosphorosoformate (CID 58800394) is [2-amino-2-(hydroxymethyl)butyl] phosphorosoformate.
What is the SMILES notation for [2-amino-2-(hydroxymethyl)butyl] phosphorosoformate?
The canonical SMILES for [2-amino-2-(hydroxymethyl)butyl] phosphorosoformate is CCC(N)(CO)COC(=O)P=O.
What is the InChIKey of [2-amino-2-(hydroxymethyl)butyl] phosphorosoformate?
The InChIKey is OESCZBJJNOHGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO4P/c1-2-6(7,3-8)4-11-5(9)12-10/h8H,2-4,7H2,1H3.
What are the key properties of [2-amino-2-(hydroxymethyl)butyl] phosphorosoformate?
[2-amino-2-(hydroxymethyl)butyl] phosphorosoformate has a molecular weight of 193.14 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-(hydroxymethyl)butyl] phosphorosoformate is sourced from PubChem (CID 58800394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).