Cas no 326891-09-2 (5-Pyrimidinepropanoicacid, a-aminohexahydro-1-methyl-2,4-dioxo-,(aS,5S)-)
326891-09-2 structure
Product Name:5-Pyrimidinepropanoicacid, a-aminohexahydro-1-methyl-2,4-dioxo-,(aS,5S)-
CAS No:326891-09-2
MF:C8H13N3O4
MW:215.206521749496
CID:301573
PubChem ID:90472077
Update Time:2025-04-19
5-Pyrimidinepropanoicacid, a-aminohexahydro-1-methyl-2,4-dioxo-,(aS,5S)- Chemical and Physical Properties
Names and Identifiers
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- 5-Pyrimidinepropanoicacid, a-aminohexahydro-1-methyl-2,4-dioxo-,(aS,5S)-
- 5-Pyrimidinepropanoic acid, alpha-aminohexahydro-1-methyl-2,4-dioxo-, (alphaS,5S)- (9CI)
- 326891-09-2
- (S)-2-Amino-3-((S)-1-methyl-2,4-dioxohexahydropyrimidin-5-yl)propanoic acid
- (S)-2-Amino-3-((S)-1-methyl-2,4-dioxohexahydropyrimidin-5-yl)propanoicacid
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- Inchi： 1S/C8H13N3O4/c1-11-3-4(2-5(9)7(13)14)6(12)10-8(11)15/h4-5H,2-3,9H2,1H3,(H,13,14)(H,10,12,15)/t4-,5-/m0/s1
- InChI Key： KYQJAXQLSVYZBQ-WHFBIAKZSA-N
- SMILES： O=C1[C@H](CN(C)C(N1)=O)C[C@@H](C(=O)O)N
Computed Properties
- Exact Mass: 215.09060590g/mol
- Monoisotopic Mass: 215.09060590g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 304
- 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: -4.2
- Topological Polar Surface Area: 113?2
5-Pyrimidinepropanoicacid, a-aminohexahydro-1-methyl-2,4-dioxo-,(aS,5S)- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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