N-Propionyl-L-valine
Basic information
- CAS
20051-64-3- Standard SMILES
CCC(=O)N[C@H](C(=O)O)C(C)C- InChIKey
ONFCFBRYSUZTJY-ZETCQYMHSA-N- Molecular formula
- C8H15NO3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.10519334
Names & identifiers
- Preferred name
- N-Propionyl-L-valine
- IUPAC
- (2S)-3-methyl-2-(propanoylamino)butanoic acid
- English name
- L-Valine, N-(1-oxopropyl)-
- Molecular formula
- C8H15NO3
- Molecular weight
- 173.21
Names & synonyms
N-Propionyl-L-valine20051-64-3N-(1-Oxopropyl)-L-valineRefChem:927323A-195(S)-3-Methyl-2-propionamidobutanoic acidpropionyl-l-valine(2S)-3-methyl-2-(propanoylamino)butanoic acidMFCD12795364L-Valine, N-(1-oxopropyl)-A 195Propionyl-Val-OH
Show more names
(S)-3-Methyl-2-propionamido butyric acid(2S)?-?3-?methyl-?2-?propanamidobutanoic acid
N-(1-Hydroxypropylidene)valineSCHEMBL2946709DTXSID70942064N-(1-Hydroxypropylidene)-L-valine3-methyl-2-propionamidobutanoic acid(2S)-3-methyl-2-propanamidobutanoic acidCS-0273294EN300-740830
Database identifiers
- CAS
20051-64-3- PubChem CID
- 192971
- DTXSID
DTXSID70942064
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 199.5 · 199.5-201.5 °C
- Boiling point
- 369.7 · 369.7±25.0 °C(Predicted)
- Density
- 1.069 · 1.069±0.06 g/cm3(Predicted)
- pka
- 3.63 · 3.63±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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