Cas no 778524-15-5 (Proline,1-methyl-5-(5-oxohexyl)-)
778524-15-5 structure
Product Name:Proline,1-methyl-5-(5-oxohexyl)-
CAS No:778524-15-5
MF:C12H21NO3
MW:227.300043821335
CID:553152
PubChem ID:45098016
Update Time:2025-04-19
Proline,1-methyl-5-(5-oxohexyl)- Chemical and Physical Properties
Names and Identifiers
-
- Proline,1-methyl-5-(5-oxohexyl)-
- Proline, 1-methyl-5-(5-oxohexyl)- (9CI)
- (2S)-1-Methyl-5-(5-oxohexyl)pyrrolidine-2-carboxylic acid
- 778524-15-5
-
- Inchi： 1S/C12H21NO3/c1-9(14)5-3-4-6-10-7-8-11(12(15)16)13(10)2/h10-11H,3-8H2,1-2H3,(H,15,16)/t10?,11-/m0/s1
- InChI Key： GOFCXPRQNPRSAH-DTIOYNMSSA-N
- SMILES： OC([C@@H]1CCC(CCCCC(C)=O)N1C)=O
Computed Properties
- Exact Mass: 227.15223
- Monoisotopic Mass: 227.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 265
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.6A^2
- XLogP3: -1.1
Experimental Properties
- PSA: 57.61
Proline,1-methyl-5-(5-oxohexyl)- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
778524-15-5 (Proline,1-methyl-5-(5-oxohexyl)-) Related Products
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