Cas no 326891-10-5 ((2S)-2-Amino-3-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]propanoic acid)
326891-10-5 structure
Product Name:(2S)-2-Amino-3-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]propanoic acid
CAS No:326891-10-5
MF:C8H13N3O4
MW:215.206521749496
CID:301574
Update Time:2023-08-02
(2S)-2-Amino-3-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]propanoic acid Chemical and Physical Properties
Names and Identifiers
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- 5-Pyrimidinepropanoicacid, a-aminohexahydro-1-methyl-2,4-dioxo-,(aS,5R)-
- 5-Pyrimidinepropanoic acid, alpha-aminohexahydro-1-methyl-2,4-dioxo-, (alphaS,5R)- (9CI)
- (S)-2-Amino-3-(1-methyl-2,4-dioxohexahydropyrimidine-5alpha-yl)propanoic acid
- (S)-2-Amino-3-((R)-1-methyl-2,4-dioxohexahydropyrimidin-5-yl)propanoic acid
- (2S)-2-Amino-3-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]propanoic acid
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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+/m1/s1
- InChI Key: KYQJAXQLSVYZBQ-UHNVWZDZSA-N
- SMILES: O=C1[C@@H](CN(C)C(N1)=O)C[C@@H](C(=O)O)N
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 304
- XLogP3: -4.2
- Topological Polar Surface Area: 113
(2S)-2-Amino-3-[(5R)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]propanoic acid Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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