2-Amino-5-hydroxyhexanoic acid

Details

• Internal ID: 5288f614-ad5f-4bb2-87af-0fddc6d0e00c
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids
• IUPAC Name: 2-amino-5-hydroxyhexanoic acid
• SMILES (Canonical): CC(CCC(C(=O)O)N)O
• SMILES (Isomeric): CC(CCC(C(=O)O)N)O
• InChI: InChI=1S/C6H13NO3/c1-4(8)2-3-5(7)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)
• InChI Key: CQUIPUAMBATVOP-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₃NO₃
• Molecular Weight: 147.17 g/mol
• Exact Mass: 147.08954328 g/mol
• Topological Polar Surface Area (TPSA): 83.60 Ų
• XlogP: -2.90

Synonyms

• 5873-15-4
• 2-amino-5-hydroxyhexanoicacid
• SCHEMBL1512920
• AKOS006339222
• EN300-1298527

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	97.23%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.08%	96.09%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	90.60%	92.29%
CHEMBL2581	P07339	Cathepsin D	90.50%	98.95%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	86.99%	96.47%
CHEMBL221	P23219	Cyclooxygenase-1	86.87%	90.17%
CHEMBL236	P41143	Delta opioid receptor	85.53%	99.35%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	84.98%	100.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.58%	96.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.72%	99.17%

Plants that contains it

• Crotalaria juncea

Cross-Links

• PubChem: 22998818
• LOTUS: LTS0270312
• wikiData: Q104968264