(2S,3S)-2-(1,3-Benzodioxol-5-yl)-1-ethyl-6-oxopiperidine-3-carboxylic Acid - CAS 1415811-76-5
Catalog: |
BB061615 |
Product Name: |
(2S,3S)-2-(1,3-Benzodioxol-5-yl)-1-ethyl-6-oxopiperidine-3-carboxylic Acid |
CAS: |
1415811-76-5 |
Synonyms: |
(2S,3S)-2-(1,3-benzodioxol-5-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid; (2S,3S)-2-(Benzo[d][1,3]dioxol-5-yl)-1-ethyl-6-oxopiperidine-3-carboxylicacid; (2S,3S)-2-(Benzo[d][1,3]dioxol-5-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid |
IUPAC Name: | (2S,3S)-2-(1,3-benzodioxol-5-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid |
Description: | (2S,3S)-2-(1,3-Benzodioxol-5-yl)-1-ethyl-6-oxopiperidine-3-carboxylic Acid |
Molecular Weight: | 291.3 |
Molecular Formula: | C15H17NO5 |
Canonical SMILES: | CCN1C(C(CCC1=O)C(=O)O)C2=CC3=C(C=C2)OCO3 |
InChI: | InChI=1S/C15H17NO5/c1-2-16-13(17)6-4-10(15(18)19)14(16)9-3-5-11-12(7-9)21-8-20-11/h3,5,7,10,14H,2,4,6,8H2,1H3,(H,18,19)/t10-,14+/m0/s1 |
InChI Key: | BOZVIGNUVANQSH-IINYFYTJSA-N |
Complexity: | 426 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.11067264 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.11067264 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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