4-Glycylaminobutyric acid
Basic information
- CAS
32595-49-6- Standard SMILES
NCC(=O)NCCCC(=O)O- InChIKey
FNSFAHRUVVKKMM-UHFFFAOYSA-N- Molecular formula
- C6H12N2O3
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.08479225
Overview
Glycyl-4-aminobutyric Acid is an N-acyl-gamma-aminobutyric acid where the acyl group is specified as aminoacetyl. It is a N-acyl-gamma-aminobutyric acid and a glycine derivative.
Names & identifiers
- Preferred name
- 4-Glycylaminobutyric acid
- IUPAC
- 4-[(2-aminoacetyl)amino]butanoic acid
- English name
- Glycyl-4-amino-n-butyric acid
- Molecular formula
- C6H12N2O3
- Molecular weight
- 160.17
Names & synonyms
32595-49-64-(2-Aminoacetamido)Butanoic Acid4-Glycylaminobutyric acid4-[(2-aminoacetyl)amino]butanoic acidH-Gly-gamma-Abu-OHMFCD00056123GLYCYL-4-AMINO-N-BUTYRIC ACIDSCHEMBL1706510DTXSID80954315NSC203795AKOS009159353NSC-203795
Show more names
GLY-GABAGly-γAbu-OHH-Gly-GABA-OHH-Gly-g-Abu-OHH2N-Gly-Gaba-COOHGly-γ-Aminobutyric acidGlycyl-4-aminobutyric Acid
Glycyl-4-amino-n-butyric acid (gamma-)4-[(2-Amino-1-hydroxyethylidene)amino]butanoic acid4-(glycylamino)butanoic acid4-(Glycylamino)butyric acidEINECS 251-121-24-(glycylamino)butanoicCHEMBL1221832CHEBI:141412
Database identifiers
- CAS
32595-49-6- PubChem CID
- 99281
- DTXSID
DTXSID80954315- ChEMBL
CHEMBL1221832- ChEBI
CHEBI:141412- EC Number
- 251-121-2
- Nikkaji
- J208.541K
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 195 °C · 195 °C
- Boiling point
- 450.2 · 450.2±30.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- form
- powder to crystal
- pka
- 4.6 · 4.60±0.10(Predicted)
- color
- White to Light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
- WGK Germany
- 3 · 3
- HS Code
- 2922.42 · 2922.42.5000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2922.42.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Chemistry & industry
Additional notes
DefinitionChEBI: Glycyl-4-aminobutyric Acid is an N-acyl-gamma-aminobutyric acid where the acyl group is specified as aminoacetyl. It is a glycine derivative and a N-acyl-gamma-aminobutyric acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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