Basic information
- CAS
1049978-60-0- Standard SMILES
Cc1ccc(C[C@H]2CN[C@H](C(=O)O)C2)cc1- InChIKey
HYIWWGWRALFBGE-NEPJUHHUSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- (2S,4R)-4-(4-Methylbenzyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S,4R)-4-[(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
- English name
- (2S,4R)-4-(4-Methylbenzyl)pyrrolidine-2-carboxylic acid
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
(2S,4R)-4-(4-Methylbenzyl)pyrrolidine-2-carboxylic acid1049978-60-0(2S,4R)-4-[(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acidCHEMBL4094281DTXSID001269372AKOS024465065(4R)-4-[(4-Methylphenyl)methyl]-L-proline(2S,4R)-4-(4-methylbenzyl)pyrrolidine-2-carboxylicacidL-Proline, 4-[(4-methylphenyl)methyl]-, (4R)-
Database identifiers
- CAS
1049978-60-0- PubChem CID
- 2761998
- DTXSID
DTXSID001269372- ChEMBL
CHEMBL4094281
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Chemistry & industry
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海梦蓝医药科技有限公司13062660007 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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