(2R,5S)-2,5-diamino-2-hydroxyhexanoic acid

Details

• Internal ID: da941577-b40f-4f94-a1d6-975d60c83e0a
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
• IUPAC Name: (2R,5S)-2,5-diamino-2-hydroxyhexanoic acid
• SMILES (Canonical): CC(CCC(C(=O)O)(N)O)N
• SMILES (Isomeric): C[C@@H](CC[C@@](C(=O)O)(N)O)N
• InChI: InChI=1S/C6H14N2O3/c1-4(7)2-3-6(8,11)5(9)10/h4,11H,2-3,7-8H2,1H3,(H,9,10)/t4-,6+/m0/s1
• InChI Key: ZJWLHGSPTSANOO-UJURSFKZSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₄N₂O₃
• Molecular Weight: 162.19 g/mol
• Exact Mass: 162.10044231 g/mol
• Topological Polar Surface Area (TPSA): 110.00 Ų
• XlogP: -3.90

Synonyms

There are no found synonyms.

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	95.92%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.66%	96.09%
CHEMBL2581	P07339	Cathepsin D	89.28%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	88.25%	97.29%
CHEMBL1907	P15144	Aminopeptidase N	86.14%	93.31%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	86.01%	100.00%
CHEMBL221	P23219	Cyclooxygenase-1	84.84%	90.17%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.70%	85.14%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	83.80%	92.29%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	83.75%	96.47%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.12%	93.56%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.39%	96.95%

Plants that contains it

• Salvia officinalis

Cross-Links

• PubChem: 162950022
• LOTUS: LTS0134940
• wikiData: Q105378202