N-Acetyl-L-alanine

Details

• Internal ID: 20947e00-5cf2-4266-ad09-cb1c1cf4721d
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids > N-acyl-L-alpha-amino acids
• IUPAC Name: (2S)-2-acetamidopropanoic acid
• SMILES (Canonical): CC(C(=O)O)NC(=O)C
• SMILES (Isomeric): C[C@@H](C(=O)O)NC(=O)C
• InChI: InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1
• InChI Key: KTHDTJVBEPMMGL-VKHMYHEASA-N
• Popularity: 202 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₉NO₃
• Molecular Weight: 131.13 g/mol
• Exact Mass: 131.058243149 g/mol
• Topological Polar Surface Area (TPSA): 66.40 Ų
• XlogP: -0.90

Synonyms

• 97-69-8
• Ac-Ala-OH
• N-ACETYLALANINE
• acetyl-l-alanine
• Acetylalanine
• N-Acetyl-S-alanine
• (2S)-2-acetamidopropanoic acid
• 2-Acetamidopropionic acid
• L-N-Acetylalanine
• L-Alanine, N-acetyl-
• Alanine, N-acetyl-, L-
• (S)-2-acetamidopropanoic acid
• (S)-2-Acetamidopropionic Acid
• s-(-)-n-acetylalanine
• N-Acetyl-L-alpha-alanine
• 26C4VY6Z0M
• CHEBI:40992
• (S)-2-(acetylamino)propanoic acid
• Alanine, N-acetyl-
• Sudismase
• MFCD00063132
• Sudismase [INN]
• UNII-26C4VY6Z0M
• UNII-OZ9YA0932I
• n-acetyl alanine
• N-acetyl-l-ala
• NSC-186892
• (S)-2-Acetylamino-propionic acid
• EINECS 202-602-0
• NSC 186892
• (S)-N-Acetylalanine
• N-Acetyl-(S)-alanine
• CH3CONHCH(CH3)COOH
• (S)-(-)-N-Acetylalanine
• N-Acetyl-L-.alpha.-alanine
• SCHEMBL330009
• N-Acetyl-L-alanine, ~99%
• OZ9YA0932I
• CHEMBL1231115
• DTXSID50861704
• (2S)-2-(Acetylamino)propanoic acid
• s3094
• AKOS010366966
• AKOS015837738
• AM81475
• CS-W004066
• DB02518
• FD21035
• HY-W004066
• 110294-55-8
• AC-19165
• AS-19296
• EN300-862647
• M03026
• Q27093502
• Z98655371
• 139CB1C7-D3CD-42B2-AA12-D5B74EF36071
• AYA
• N-Acetylsuperoxide dismutase (human clone pS 61-10 copper-zinc subunit protein moiety reduced)

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	97.49%	83.82%
CHEMBL2581	P07339	Cathepsin D	91.38%	98.95%
CHEMBL3359	P21462	Formyl peptide receptor 1	86.39%	93.56%
CHEMBL3308	P55212	Caspase-6	86.33%	97.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.09%	96.09%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	85.92%	100.00%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	83.57%	92.29%
CHEMBL221	P23219	Cyclooxygenase-1	82.90%	90.17%
CHEMBL340	P08684	Cytochrome P450 3A4	81.04%	91.19%

Plants that contains it

• Vitis vinifera

Cross-Links

• PubChem: 88064
• LOTUS: LTS0040292
• wikiData: Q27093502