N-Ethylglycine

Details

• Internal ID: 98327ec9-2f22-45f8-be5c-440e52a01e5b
• 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-(ethylamino)acetic acid
• SMILES (Canonical): CCNCC(=O)O
• SMILES (Isomeric): CCNCC(=O)O
• InChI: InChI=1S/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)
• InChI Key: YPIGGYHFMKJNKV-UHFFFAOYSA-N
• Popularity: 132 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₉NO₂
• Molecular Weight: 103.12 g/mol
• Exact Mass: 103.063328530 g/mol
• Topological Polar Surface Area (TPSA): 49.30 Ų
• XlogP: -2.80

Synonyms

• 2-(ethylamino)acetic acid
• 627-01-0
• EtGly
• N-ethyl glycine
• Glycine, N-ethyl-
• 2-ethylaminoacetic acid
• N-Ethylglycine, 98%
• SCHEMBL41068
• CHEMBL4228385
• CHEBI:15620
• YPIGGYHFMKJNKV-UHFFFAOYSA-
• DTXSID70311675
• YPIGGYHFMKJNKV-UHFFFAOYSA-N
• MFCD00037794
• NSC244825
• AKOS009158275
• HY-W141879
• NSC-244825
• AS-58519
• BP-12605
• CS-0201673
• E0517
• FT-0693736
• EN300-57262
• T72729
• AB00996112-01
• A868391
• Q27453041
• InChI=1/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)

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
CHEMBL221	P23219	Cyclooxygenase-1	97.24%	90.17%
CHEMBL4040	P28482	MAP kinase ERK2	94.67%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.81%	96.09%
CHEMBL2581	P07339	Cathepsin D	90.79%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.00%	99.17%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.23%	85.14%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	81.02%	100.00%

Plants that contains it

• Pogostemon cablin

Cross-Links

• PubChem: 316542
• LOTUS: LTS0234437
• wikiData: Q27453041