Cas no 207612-83-7 (b-Alanine,N-(2-carboxyethyl)-N-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]-)
![b-Alanine,N-(2-carboxyethyl)-N-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]- structure](https://ossimg.kuujia.com/scimg/208000/207612-83-7x500.png)
207612-83-7 structure
Product Name:b-Alanine,N-(2-carboxyethyl)-N-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]-
CAS No:207612-83-7
MF:C12H16N2O6
MW:284.265243530273
CID:239196
PubChem ID:20740629
Update Time:2025-04-19
b-Alanine,N-(2-carboxyethyl)-N-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- b-Alanine,N-(2-carboxyethyl)-N-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]-
- 3-[2-carboxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]propanoic acid
- 3,3'-(2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethylazanediyl)dipropanoic acid
- 3,3'-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)azanediyl)dipropionic acid
- 3,3'-{[2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]azanediyl}dipropanoic acid (non-preferred name)
- FT-0604039
- N-(2-carboxyethyl)-N-[2-(2,5-dihydro-2,5-dioxo-1H-beta-alanine
- 207612-83-7
- A4509
- DTXSID70609564
-
- Inchi： 1S/C12H16N2O6/c15-9-1-2-10(16)14(9)8-7-13(5-3-11(17)18)6-4-12(19)20/h1-2H,3-8H2,(H,17,18)(H,19,20)
- InChI Key： LVXYEQQFMTUMLX-UHFFFAOYSA-N
- SMILES： O=C1C=CC(N1CCN(CCC(=O)O)CCC(=O)O)=O
Computed Properties
- Exact Mass: 284.101
- Monoisotopic Mass: 284.101
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 9
- Complexity: 409
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _2.7
- Topological Polar Surface Area: 115A^2
Experimental Properties
- PSA: 115.22000
- LogP: -0.89930
b-Alanine,N-(2-carboxyethyl)-N-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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