ChemFOnt: Showing chemical card for (2-Amino-2-oxoethyl)phosphinous acid (CFc000222711)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 01:43:44 UTC

Chemfont ID

CFc000222711

Molecule Identification

Common Name

(2-Amino-2-oxoethyl)phosphinous acid

Definition

(2-Amino-2-oxoethyl)phosphinous acid belongs to the class of organic compounds known as primary carboxylic acid amides. Primary carboxylic acid amides are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2. Based on a literature review very few articles have been published on (2-Amino-2-oxoethyl)phosphinous acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂H₆NO₂P

Average Molecular Weight

107.049

Monoisotopic Molecular Weight

107.013615435

IUPAC Name

(carbamoylmethyl)phosphinous acid

Traditional Name

carbamoylmethylphosphinous acid

CAS Registry Number

Not Available

SMILES

NC(=O)CPO

InChI Identifier

InChI=1S/C2H6NO2P/c3-2(4)1-6-5/h5-6H,1H2,(H2,3,4)

InChI Key

SFNKRCOROVZSAW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as primary carboxylic acid amides. Primary carboxylic acid amides are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acid derivatives

Direct Parent

Primary carboxylic acid amides

Alternative Parents

Substituents

Primary carboxylic acid amide
Organic nitrogen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organophosphorus compound
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	654 g/L	ALOGPS
logP	-1.3	ALOGPS
logP	-2	ChemAxon
logS	0.79	ALOGPS
pKa (Strongest Acidic)	16.19	ChemAxon
pKa (Strongest Basic)	-2.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	63.32 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	22.17 m³·mol⁻¹	ChemAxon
Polarizability	8.72 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0242461

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

57110155

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for (2-Amino-2-oxoethyl)phosphinous acid (CFc000222711)

MOL for CFc000222711 ((2-Amino-2-oxoethyl)phosphinous acid)

3D MOL for CFc000222711 ((2-Amino-2-oxoethyl)phosphinous acid)

3D SDF for CFc000222711 ((2-Amino-2-oxoethyl)phosphinous acid)

3D-SDF for CFc000222711 ((2-Amino-2-oxoethyl)phosphinous acid)

PDB for CFc000222711 ((2-Amino-2-oxoethyl)phosphinous acid)

3D PDB for CFc000222711 ((2-Amino-2-oxoethyl)phosphinous acid)

SMILES for CFc000222711 ((2-Amino-2-oxoethyl)phosphinous acid)

INCHI for CFc000222711 ((2-Amino-2-oxoethyl)phosphinous acid)

Structure for CFc000222711 ((2-Amino-2-oxoethyl)phosphinous acid)

3D Structure for CFc000222711 ((2-Amino-2-oxoethyl)phosphinous acid)