Basic information
- CAS
94108-46-0- Standard SMILES
C[NH+](C)CCCN1CC(C(=O)[O-])CC1=O- InChIKey
MUPFIGLSLOVQLZ-UHFFFAOYSA-N- Molecular formula
- C10H18N2O3
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.13174244
Names & identifiers
- Preferred name
- 1-[3-(Dimethylazaniumyl)propyl]-5-oxopyrrolidine-3-carboxylate
- IUPAC
- 1-[3-(dimethylazaniumyl)propyl]-5-oxopyrrolidine-3-carboxylate
- English name
- 1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
- Molecular formula
- C10H18N2O3
- Molecular weight
- 214.26
Names & synonyms
3-Pyrrolidinecarboxylic acid, 1-[3-(dimethylamino)propyl]-5-oxo-
Database identifiers
- CAS
94108-46-0- PubChem CID
- 4533985
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 391.2 · 391.2±32.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- pka
- 4.41 · 4.41±0.20(Predicted)
- FDA UNII
- 3 BS7YLC9P6 · 3BS7YLC9P6
Chemistry & industry
Suppliers2 total
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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