4-Acetamidobutyric acid

Details

• Internal ID: 587f14ba-68f8-42dc-a8b4-53a18a0c23f9
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Gamma amino acids and derivatives
• IUPAC Name: 4-acetamidobutanoic acid
• SMILES (Canonical): CC(=O)NCCCC(=O)O
• SMILES (Isomeric): CC(=O)NCCCC(=O)O
• InChI: InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
• InChI Key: UZTFMUBKZQVKLK-UHFFFAOYSA-N
• Popularity: 33 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₁NO₃
• Molecular Weight: 145.16 g/mol
• Exact Mass: 145.07389321 g/mol
• Topological Polar Surface Area (TPSA): 66.40 Ų
• XlogP: -0.60

Synonyms

• 4-acetamidobutanoic acid
• 3025-96-5
• 4-(Acetylamino)butanoic acid
• N-Acetyl-4-aminobutyric acid
• N-Acetyl-4-aminobutanoic acid
• Butanoic acid, 4-(acetylamino)-
• N-acetyl GABA
• BUTYRIC ACID, 4-ACETAMIDO-
• 4-Acetamidobutanoate
• N-Acetyl-gamma-aminobutyrate
• gamma-Acetylaminobutyric acid
• DF 469
• NSC 27423
• N4-Acetylaminobutanoate
• N-Acetyl-.gamma.-aminobutyric acid
• N4-Acetylaminobutanoic acid
• .gamma.-Acetylaminobutyric acid
• 3A70KD310L
• NSC-27423
• 4-acetamidobutyrate
• EINECS 221-186-1
• BRN 1762288
• UNII-3A70KD310L
• N-acetyl-GABA
• 4-acetamidobutanoicacid
• 4-(acetylamino)butyrate
• 4-acetylaminobutyric acid
• 4-(Acetylamino)butanoate
• N-Acetyl-4-aminobutanoate
• bmse000468
• 4-(acetylamino)butyric acid
• Butanoic acid, 4-acetamido-
• 4-04-00-02604 (Beilstein Handbook Reference)
• SCHEMBL285421
• N-Acetyl-.gamma.-aminobutyrate
• 4-(Acetylamino)butanoic acid #
• CHEBI:17645
• DTXSID50184344
• NSC27423
• N-Acetyl-gamma-amino-n-butyric acid
• MFCD00020552
• s3358
• AKOS000178808
• CS-6350
• N-Acetyl-.gamma.-amino-n-butyric acid
• AS-60736
• Butanoic acid, 4-(acetylamino)- (9CI)
• HY-101411
• FT-0617381
• EN300-18564
• C02946
• D87839
• A820281
• J-017846
• Q27102497
• Z85888803
• C4ACB70B-84C2-4E19-A262-C25088388B3F

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
CHEMBL2581	P07339	Cathepsin D	95.86%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.55%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.67%	99.17%
CHEMBL4040	P28482	MAP kinase ERK2	89.07%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.83%	91.11%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	81.12%	94.33%

Plants that contains it

• Medicago sativa

Cross-Links

• PubChem: 18189
• LOTUS: LTS0089746
• wikiData: Q27102497