ChemFOnt: Showing chemical card for (S)-2-Hydrazinopropionic acid (CFc000227840)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 01:53:14 UTC

Chemfont ID

CFc000227840

Molecule Identification

Common Name

(S)-2-Hydrazinopropionic acid

Definition

(S)-2-Hydrazinopropionic acid belongs to the class of organic compounds known as alanine and derivatives. Alanine and derivatives are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on (S)-2-Hydrazinopropionic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(S)-2-Hydrazinopropionate	Generator

Chemical Formula

C₃H₈N₂O₂

Average Molecular Weight

104.109

Monoisotopic Molecular Weight

104.058577506

IUPAC Name

2-hydrazinylpropanoic acid

Traditional Name

2-hydrazinylpropanoic acid

CAS Registry Number

Not Available

SMILES

CC(NN)C(O)=O

InChI Identifier

InChI=1S/C3H8N2O2/c1-2(5-4)3(6)7/h2,5H,4H2,1H3,(H,6,7)

InChI Key

LOVUSASSMLUWRR-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alanine and derivatives. Alanine and derivatives are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alanine and derivatives

Alternative Parents

Substituents

Alanine or derivatives
Alkylhydrazine
Monocarboxylic acid or derivatives
Carboxylic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Hydrazine derivative
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	319 g/L	ALOGPS
logP	-2.8	ALOGPS
logP	-2.2	ChemAxon
logS	0.49	ALOGPS
pKa (Strongest Acidic)	4.4	ChemAxon
pKa (Strongest Basic)	5.75	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	75.35 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	35.47 m³·mol⁻¹	ChemAxon
Polarizability	9.8 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

HMDB0248305

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

109432

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

122757

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for (S)-2-Hydrazinopropionic acid (CFc000227840)

MOL for CFc000227840 ((S)-2-Hydrazinopropionic acid)

3D MOL for CFc000227840 ((S)-2-Hydrazinopropionic acid)

3D SDF for CFc000227840 ((S)-2-Hydrazinopropionic acid)

3D-SDF for CFc000227840 ((S)-2-Hydrazinopropionic acid)

PDB for CFc000227840 ((S)-2-Hydrazinopropionic acid)

3D PDB for CFc000227840 ((S)-2-Hydrazinopropionic acid)

SMILES for CFc000227840 ((S)-2-Hydrazinopropionic acid)

INCHI for CFc000227840 ((S)-2-Hydrazinopropionic acid)

Structure for CFc000227840 ((S)-2-Hydrazinopropionic acid)

3D Structure for CFc000227840 ((S)-2-Hydrazinopropionic acid)