1-(3-Methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
Basic information
- CAS
944648-73-1- Standard SMILES
CC(C)CCN1CC(C(=O)O)CC1=O- InChIKey
SPCHGSSOWADNDH-UHFFFAOYSA-N- Molecular formula
- C10H17NO3
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.1208434
Names & identifiers
- Preferred name
- 1-(3-Methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
- English name
- 1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid(SALTDATA: FREE)
- Molecular formula
- C10H17NO3
- Molecular weight
- 199.25
Names & synonyms
1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid944648-73-11-Isopentyl-5-oxopyrrolidine-3-carboxylic acidMFCD073647631-Isopentyl-5-oxo-pyrrolidine-3-carboxylic acid3-pyrrolidinecarboxylic acid, 1-(3-methylbutyl)-5-oxo-SCHEMBL14477946DTXSID70406479ALBB-009448BBL008499STK502022AKOS000160428
Show more names
1-isopentyl-5-oxo-3-pyrrolidinecarboxylic acid1-isoamyl-5-keto-pyrrolidine-3-carboxylic acid1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid(SALTDATA: FREE)
AKOS016037500VS-019381-Isopentyl-5-oxopyrrolidine-3-carboxylicacidH25155F307327
Database identifiers
- CAS
944648-73-1- PubChem CID
- 4777960
- DTXSID
DTXSID70406479
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 377 · 377.0±35.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- pka
- 4.55 · 4.55±0.20(Predicted)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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