Cas no 102772-04-3 ((2S)-2-[2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoylamino]propanoic acid)
![(2S)-2-[2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoylamino]propanoic acid structure](https://ossimg.kuujia.com/scimg/103000/102772-04-3x500.png)
102772-04-3 structure
Product Name:(2S)-2-[2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoylamino]propanoic acid
CAS No:102772-04-3
MF:C11H15N3O5
MW:269.253902673721
CID:186412
PubChem ID:196362
Update Time:2025-04-19
(2S)-2-[2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoylamino]propanoic acid Chemical and Physical Properties
Names and Identifiers
-
- (2S)-2-[2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoylamino]propanoic acid
- poly-2-(2-(thymin-1-yl)propanamido)propenoic acid
- N-[2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoyl]-L-alanine
- PTPPA
- N-[1-Hydroxy-2-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)propylidene]alanine
- (2S)-2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylamino]propanoic acid
- 102772-04-3
- DTXSID20908039
-
- Inchi： 1S/C11H15N3O5/c1-5-4-14(11(19)13-8(5)15)7(3)9(16)12-6(2)10(17)18/h4,6-7H,1-3H3,(H,12,16)(H,17,18)(H,13,15,19)/t6-,7?/m0/s1
- InChI Key： WVFIOJLOGSZBSO-PKPIPKONSA-N
- SMILES： O=C(C(C)N1C(NC(C(C)=C1)=O)=O)N[C@H](C(=O)O)C
Computed Properties
- Exact Mass: 269.10125
- Monoisotopic Mass: 269.10117059g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 471
- 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
- XLogP3: -0.7
- Topological Polar Surface Area: 116?2
Experimental Properties
- PSA: 115.81
(2S)-2-[2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoylamino]propanoic acid Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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