(2S,3S)-1-Ethyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid - CAS 1391476-66-6
Catalog: |
BB065598 |
Product Name: |
(2S,3S)-1-Ethyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid |
CAS: |
1391476-66-6 |
Synonyms: |
(2S,3S)-1-ethyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid; (2S,3S)-1-ethyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylicacid |
IUPAC Name: | (2S,3S)-1-ethyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid |
Description: | (2S,3S)-1-Ethyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid |
Molecular Weight: | 277.31 |
Molecular Formula: | C15H19NO4 |
Canonical SMILES: | CCN1C(C(CCC1=O)C(=O)O)C2=CC=CC=C2OC |
InChI: | InChI=1S/C15H19NO4/c1-3-16-13(17)9-8-11(15(18)19)14(16)10-6-4-5-7-12(10)20-2/h4-7,11,14H,3,8-9H2,1-2H3,(H,18,19)/t11-,14+/m0/s1 |
InChI Key: | GKZIJOUYZWYCFA-SMDDNHRTSA-N |
Complexity: | 371 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.13140809 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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