ChemFOnt: Showing chemical card for 2-hydroxypropanoic acid (CFc000124704)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 21:51:04 UTC

Chemfont ID

CFc000124704

Molecule Identification

Common Name

2-hydroxypropanoic acid

Definition

2-hydroxypropanoic acid, also known as lactic acid or lactate, belongs to the class of organic compounds known as alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon. In humans, 2-hydroxypropanoic acid is involved in the metabolic disorder called the glutaminolysis and cancer pathway. 2-hydroxypropanoic acid is an odorless tasting compound. 2-hydroxypropanoic acid is found, on average, in the highest concentration in opium poppies. 2-hydroxypropanoic acid has also been detected, but not quantified, in several different foods, such as black elderberries, potato, common grapes, guava, and sour cherries. In volant animals such as birds and bats, lactic acid may build up in the pectoral muscles.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-Hydroxypropionic acid	ChEBI
Lactic acid	ChEBI
Lactate	Kegg
2-Hydroxypropionate	Generator
2-Hydroxypropanoate	Generator
2 Hydroxypropanoic acid	HMDB
2 Hydroxypropionic acid	HMDB
Ammonium lactate	HMDB
D Lactic acid	HMDB
D-Lactic acid	HMDB
L Lactic acid	HMDB
L-Lactic acid	HMDB
Lactate, ammonium	HMDB
Sarcolactic acid	HMDB
2-Hydroxypropanoic acid	MeSH, KEGG

Chemical Formula

C₃H₆O₃

Average Molecular Weight

90.0779

Monoisotopic Molecular Weight

90.031694058

IUPAC Name

2-hydroxypropanoic acid

Traditional Name

lactic acid

CAS Registry Number

50-21-5

SMILES

CC(O)C(O)=O

InChI Identifier

InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)

InChI Key

JVTAAEKCZFNVCJ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Hydroxy acids and derivatives

Sub Class

Alpha hydroxy acids and derivatives

Direct Parent

Alpha hydroxy acids and derivatives

Alternative Parents

Substituents

Alpha-hydroxy acid
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

2-hydroxy monocarboxylic acid (CHEBI:78320 )

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0144295)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	562 g/L	ALOGPS
logP	-0.79	ALOGPS
logP	-0.47	ChemAxon
logS	0.79	ALOGPS
pKa (Strongest Acidic)	3.78	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	18.84 m³·mol⁻¹	ChemAxon
Polarizability	8.05 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