Cas no 168779-59-7 (3-ethyl-2-oxo-3-Piperidinecarboxylic acid)
168779-59-7 structure
Product Name:3-ethyl-2-oxo-3-Piperidinecarboxylic acid
CAS No:168779-59-7
MF:C8H13NO3
MW:171.193722486496
CID:1107447
PubChem ID:10535180
Update Time:2025-04-20
3-ethyl-2-oxo-3-Piperidinecarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 3-ethyl-2-oxo-3-Piperidinecarboxylic acid
- 3-ethyl-2-oxopiperidine-3-carboxylic acid
- SCHEMBL23388889
- 168779-59-7
-
- Inchi： 1S/C8H13NO3/c1-2-8(7(11)12)4-3-5-9-6(8)10/h2-5H2,1H3,(H,9,10)(H,11,12)
- InChI Key： NZAMLHOBSXEVNZ-UHFFFAOYSA-N
- SMILES： O=C1C(C(=O)O)(CC)CCCN1
Computed Properties
- Exact Mass: 171.08954328g/mol
- Monoisotopic Mass: 171.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 66.4?2
3-ethyl-2-oxo-3-Piperidinecarboxylic acid Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
168779-59-7 (3-ethyl-2-oxo-3-Piperidinecarboxylic acid) Related Products
- 926246-53-9(1-propanoylpiperidine-3-carboxylic acid)
- 915924-95-7(1-Isobutyl-6-oxopiperidine-3-carboxylic acid)
- 96905-67-8(2-Oxopyrrolidine-3-carboxylic acid)
- 22540-50-7(6-Oxopiperidine-3-carboxylic acid)
- 41888-21-5(2-Oxopiperidine-3-carboxylic acid)
- 926214-33-7(1-Isobutyryl-3-piperidinecarboxylic acid)
- 923177-08-6(1-(2,2-DIMETHYLPROPANOYL)PIPERIDINE-3-CARBOXYLIC ACID)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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