Basic information
- CAS
122910-12-7- Standard SMILES
NCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O- InChIKey
CQCYYMGLQMYXMR-LURJTMIESA-N- Molecular formula
- C9H16N2O5
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.10592162
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-(gamma-Aminobutyryl)glutamic acid
- IUPAC
- (2S)-2-(4-aminobutanoylamino)pentanedioic acid
- English name
- N-(gamma-aminobutyryl)glutamic acid
- Molecular formula
- C9H16N2O5
- Molecular weight
- 232.23
Names & synonyms
N-(gamma-Aminobutyryl)glutamic acid122910-12-7GABA-gluN-(gamma-Aminobutyryl)-L-glutamic acidRefChem:162369(S)-2-(4-Aminobutanamido)pentanedioic acid(2S)-2-(4-aminobutanoylamino)pentanedioic acidSCHEMBL10422861DTXSID60924319AKOS010408612L-Glutamic acid, N-(4-amino-1-oxobutyl)-N-(4-Amino-1-hydroxybutylidene)glutamic acid
Show more names
N-(4-Amino-1-hydroxybutylidene)-L-glutamic acid
Database identifiers
- CAS
122910-12-7- PubChem CID
- 129795
- DTXSID
DTXSID60924319- Nikkaji
- J389.981K
Properties
Computed structural properties
- XLogP
- -4.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 543.9 · 543.9±50.0 °C(Predicted)
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- pka
- 3.28 · 3.28±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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