Ethyl (2S,5S)-5-methylpyrrolidine-2-carboxylate - CAS 676560-84-2
Catalog: |
BB065627 |
Product Name: |
Ethyl (2S,5S)-5-methylpyrrolidine-2-carboxylate |
CAS: |
676560-84-2 |
Synonyms: |
(2S,5S)-Ethyl 5-methylpyrrolidine-2-carboxylate; Ethyl (2S,5S)-5-Methylpyrrolidine-2-carboxylate; L-Proline, 5-methyl-, ethyl ester, (5S)- (9CI); ethyl (5S)-5-methyl-L-prolinate; Ethyl cis-5-methylpyrrolidine-2-carboxylate |
IUPAC Name: | ethyl (2S,5S)-5-methylpyrrolidine-2-carboxylate |
Molecular Weight: | 157.21 |
Molecular Formula: | C8H15NO2 |
Canonical SMILES: | CCOC(=O)C1CCC(N1)C |
InChI: | InChI=1S/C8H15NO2/c1-3-11-8(10)7-5-4-6(2)9-7/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1 |
InChI Key: | SIHWTRLYXYEMIA-BQBZGAKWSA-N |
References: | Bacon, E. et al. PCT Int. Appl. (2015), WO 2015191526 A2 20151217.. |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.110278721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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