4-Methylproline methyl ester
Basic information
- Standard SMILES
COC(=O)C1CC(C)CN1- InChIKey
SYHDOELXGHCIOB-UHFFFAOYSA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
Names & identifiers
- Preferred name
- 4-Methylproline methyl ester
- IUPAC
- methyl 4-methylpyrrolidine-2-carboxylate
Names & synonyms
METHYL (2S,4S)-4-METHYLPYRROLIDINE-2-CARBOXYLATE4-Methylproline methyl estermethyl 4-methylpyrrolidine-2-carboxylateSCHEMBL3595255SYHDOELXGHCIOB-UHFFFAOYSA-NMethyl 4-methyl-2-pyrrolidinecarboxylate #EN300-7086860932040-63-6
Database identifiers
- PubChem CID
- 558377
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…