Cas no 111466-57-0 (L-Proline,4-(1-methylethenyl)-, trans- (9CI))
111466-57-0 structure
Product Name:L-Proline,4-(1-methylethenyl)-, trans- (9CI)
CAS No:111466-57-0
MF:C8H13NO2
MW:155.194322347641
CID:129281
PubChem ID:45084839
Update Time:2025-04-18
L-Proline,4-(1-methylethenyl)-, trans- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- L-Proline,4-(1-methylethenyl)-, trans- (9CI)
- 111466-57-0
- (2S,4S)-4-(Prop-1-en-2-yl)pyrrolidine-2-carboxylic acid
- L-Proline, 4-(1-methylethenyl)-, trans- (9CI)
-
- Inchi： 1S/C8H13NO2/c1-5(2)6-3-7(8(10)11)9-4-6/h6-7,9H,1,3-4H2,2H3,(H,10,11)/t6-,7+/m1/s1
- InChI Key： ZHJAYBVPHIYUEA-RQJHMYQMSA-N
- SMILES： OC([C@@H]1C[C@@H](C(=C)C)CN1)=O
Computed Properties
- Exact Mass: 155.09469
- Monoisotopic Mass: 155.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.2
- Topological Polar Surface Area: 49.3?2
Experimental Properties
- PSA: 49.33
L-Proline,4-(1-methylethenyl)-, trans- (9CI) Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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