N-[1-Hydroxy-2-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)propylidene]alanine

HCID 196362

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Basic information

CAS: 102772-04-3
Standard SMILES: Cc1cn(C(C)C(=O)N[C@@H](C)C(=O)O)c(=O)[nH]c1=O
InChIKey: WVFIOJLOGSZBSO-PKPIPKONSA-N
Molecular formula: C11H15N3O5
Average molar mass: 269.25 g/mol
Monoisotopic mass: 269.10117058

Names & identifiers

Preferred name: N-[1-Hydroxy-2-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)propylidene]alanine
IUPAC: (2S)-2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylamino]propanoic acid
English name: poly-2-(2-(thymin-1-yl)propanamido)propenoic acid
Molecular formula: C11H15N3O5
Molecular weight: 269.2539

Names & synonyms

SCHEMBL31389027DTXSID20908039N-[1-Hydroxy-2-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)propylidene]-L-alanineN-[1-Hydroxy-2-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)propylidene]alanineL-Alanine, N-[2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-oxopropyl]-, homopolymer (9CI)poly-2-(2-(thymin-1-yl)propanamido)propenoic acid

Database identifiers

CAS: 102772-04-3
PubChem CID: 196362
DTXSID: DTXSID20908039

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 116 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 471

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