7-Methoxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-(1,3)oxazino(3,2-d)pyrido(1,2-a)pyrazine-9-carboxylic acid, (4R,12AS)-

C₁₄H₁₆N₂O₆CAS 1335210-34-8308.29 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Ether Lactam

Properties

Molecular formula: C₁₄H₁₆N₂O₆
Molar mass: 308.29 g/mol
Exact mass: 308.1008 Da
logP: 0.15Crippen estimate
Polar surface area: 98.1 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

1335210-34-8

SMILES

C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)O)OC

InChIKey

KGWJKKUSXSBPSK-APPZFPTMSA-N

InChI

InChI=1S/C14H16N2O6/c1-7-3-4-22-9-6-15-5-8(14(19)20)11(17)12(21-2)10(15)13(18)16(7)9/h5,7,9H,3-4,6H2,1-2H3,(H,19,20)/t7-,9+/m1/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(4R,12As)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12A-hexahydro-2H-[1,3]oxazino[3,2-D]pyrido[1,2-A]pyrazine-9-carboxylic acid

Work with 7-Methoxy-4-Methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-(1,3)oxazino(3,2-d)pyrido(1,2-a)pyrazine-9-carboxylic acid, (4R,12AS)-

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-(6-Maleimidocaproyloxy)succinimide55750-63-5

Elsewhere

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