569371-09-1
(S)-2-AMINO-3-(3-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PROPANOIC ACID
Name(S)-2-AMINO-3-(3-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PROPANOIC ACID
1Identification
【Name】
(S)-2-AMINO-3-(3-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PROPANOIC ACID
【CAS】
【MDL】
MFCD22392925
【English Synonyms】
【Formula】
C8 H11 N3 O4
【MolWeight】
213.192
【Inchi】
InChI=1S/C8H11N3O4/c1-10-6(12)2-3-11(8(10)15)4-5(9)7(13)14/h2-3,5H,4,9H2,1H3,(H,13,14)/t5-/m0/s1
【InChIKey】
InChIKey=OUAOUEYGUCVGCW-YFKPBYRVSA-N
【SMILES】
Cn1c(=O)ccn(c1=O)C[C@@H](C(=O)O)N
【MOL File】
(S)-2-AMINO-3-(3-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:-4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-2-AMINO-3-(3-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PROPANOIC ACID.cml