(2S)-2-azaniumyl-5-(naphthalen-1-ylamino)-5-oxopentanoate
Basic information
- CAS
28401-75-4- Standard SMILES
[NH3+][C@@H](CCC(=O)Nc1cccc2ccccc12)C(=O)[O-]- InChIKey
QOGFVABMAJFJDJ-LBPRGKRZSA-N- Molecular formula
- C15H16N2O3
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.11609238
Overview
See also: N-1-Naphthalenyl-L-glutamine (preferred).
Names & identifiers
- Preferred name
- (2S)-2-azaniumyl-5-(naphthalen-1-ylamino)-5-oxopentanoate
- IUPAC
- (2S)-2-azaniumyl-5-(naphthalen-1-ylamino)-5-oxopentanoate
- English name
- N-1-naphthyl-l-glutamine
- Molecular formula
- C15H16N2O3
- Molecular weight
- 272.3
Names & synonyms
H-Glu(αNA)-OHN-1-naphthyl-l-glutamineN5-(1-Naphthyl)-L-glutamineL-Glutamine, N-1-naphthalenyl-N5-(1-Naphthalenyl)-L-glutaminen5-(Naphthalen-1-yl)-l-glutamineL-Glutamic acid γ-(α-naphthylamide), CAS 28401-75-4(2S)-2-amino-4-[(naphthalen-1-yl)carbamoyl]butanoic acid(2S)-5-amino-2-(naphthalen-1-ylamino)-5-oxopentanoic acid
Database identifiers
- CAS
28401-75-4- PubChem CID
- 6950682
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 589.1 · 589.1±45.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- pka
- 2.22 · 2.22±0.10(Predicted)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 341 · H341
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Hazard statements
- H341
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…