(S)-2-Amino-3-((S)-1-methyl-2,4-dioxohexahydropyrimidin-5-yl)propanoic acid
Basic information
- CAS
326891-09-2- Standard SMILES
CN1C[C@H](C[C@H](N)C(=O)O)C(=O)NC1=O- InChIKey
KYQJAXQLSVYZBQ-WHFBIAKZSA-N- Molecular formula
- C8H13N3O4
- Average molar mass
- 215.21 g/mol
Names & identifiers
- Preferred name
- (S)-2-Amino-3-((S)-1-methyl-2,4-dioxohexahydropyrimidin-5-yl)propanoic acid
- IUPAC
- (2S)-2-amino-3-[(5S)-1-methyl-2,4-dioxo-1,3-diazinan-5-yl]propanoic acid
- English name
- 5-Pyrimidinepropanoic acid, alpha-aminohexahydro-1-methyl-2,4-dioxo-, (alphaS,5S)- (9CI)
- Molecular formula
- C8H13N3O4
- Molecular weight
- 215.21
Names & synonyms
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)propanoicacid5-Pyrimidinepropanoic acid, α-aminohexahydro-1-methyl-2,4-dioxo-, (αS,5S)-5-Pyrimidinepropanoic acid, alpha-aminohexahydro-1-methyl-2,4-dioxo-, (alphaS,5S)- (9CI)
Database identifiers
- CAS
326891-09-2- Nikkaji
- J1.716.676J
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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