Details of the Drug

General Information of Drug (ID: DMZW9AC)

Drug Name

N-Acetylalanine

Synonyms

N-Acetyl-DL-alanine; 1115-69-1; 2-acetamidopropanoic acid; Ac-DL-Ala-OH; 2-Acetylaminopropionic acid; N-ACETYLALANINE; Acetyl-DL-Alanine; DL-Alanine, N-acetyl-; N-alpha-Acetyl-DL-alanine; 2-Acetylamino-propionic acid; N-Acetyl-S-alanine; L-Alanine, N-acetyl-; KTHDTJVBEPMMGL-UHFFFAOYSA-N; N-Acetyl-DL-2-aminopropionic Acid; 2-(acetylamino)propanoic acid; n-acetylalanin; Alanine, N-acetyl-; Alanine, N-acetyl-, L-; L-Alanine, N-acetyl- (9CI); Alanine, N-acetyl-, L- (8CI); ac-dl-alanine; n-acetyl-dl-ala; N-Acetylalanine #; EINECS 214-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

131.13

Logarithm of the Partition Coefficient (xlogp)

-0.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C5H9NO3
IUPAC Name: (2S)-2-acetamidopropanoic acid
Canonical SMILES: 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
InChIKey: KTHDTJVBEPMMGL-VKHMYHEASA-N