n-Propan-2-ylglutamine
Basic information
- CAS
4311-12-0- Standard SMILES
CC(C)NC(=O)CCC(N)C(=O)O- InChIKey
CABXGBMKSVRWOG-LURJTMIESA-N- Molecular formula
- C8H16N2O3
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.11609238
Names & identifiers
- Preferred name
- n-Propan-2-ylglutamine
- IUPAC
- 2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
- English name
- 2-amino-4-(propan-2-ylcarbamoyl)butanoic acid
- Molecular formula
- C8H16N2O3
- Molecular weight
- 188.22
Names & synonyms
2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acidn-propan-2-ylglutamineNSC23913Glutamine, n-isopropyl-SCHEMBL1512837STR07152MFCD20643725NSC-23913AKOS037655900DB-2169692-amino-5-(isopropylamino)-5-oxo-pentanoic acid2-amino-4-[(propan-2-yl)carbamoyl]butanoic acid
Show more names
L-Gln(isopropyl)-OHH-L-Gln(Isoropyl)-OHH-Gln(Isopropyl)·HClH-L-Gln(isopropyl)-OHIsopropyl-L-glutamineN5-Isopropyl-L-glutaminNδ-Isopropyl-L-glutamineL-Glutamine, N-(1-methylethyl)-2-amino-4-(propan-2-ylcarbamoyl)butanoic acid2-amino-5-(isopropylamino)-5-keto-valeric acid
Database identifiers
- CAS
4311-12-0- PubChem CID
- 229866
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Melting point
- 224 · 224-226 °C
- Boiling point
- 424.186 · 424.186±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 0 °C · Store at 0°C
- pka
- 2.224 · 2.224±0.10(predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: N-isopropyl-L-glutamine is a N(5)-alkylglutamine where the alkyl group is isopropyl. It has a role as a bacterial metabolite. It is a tautomer of a N-isopropyl-L-glutamine zwitterion.
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