(2R,5S,13Ar)-8-methoxy-7,9-dioxo-2,3,4,5,7,9,13,13A-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-B][1,3]oxazepine-10-carboxylic acid

C₁₅H₁₆N₂O₆CAS 1616342-45-0320.30 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Ether Lactam

Properties

Molecular formula: C₁₅H₁₆N₂O₆
Molar mass: 320.30 g/mol
Exact mass: 320.1008 Da
logP: 0.29Crippen estimate
Polar surface area: 98.1 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2
Stereocentres: S, R, Rin SMILES atom order

Identifiers

CAS number

1616342-45-0

SMILES

COC1=C2C(=O)N3[C@H]4CC[C@H](C4)O[C@@H]3CN2C=C(C1=O)C(=O)O

InChIKey

GARGTTZRFPGJSI-QXFUBDJGSA-N

InChI

InChI=1S/C15H16N2O6/c1-22-13-11-14(19)17-7-2-3-8(4-7)23-10(17)6-16(11)5-9(12(13)18)15(20)21/h5,7-8,10H,2-4,6H2,1H3,(H,20,21)/t7-,8+,10+/m0/s1

Weigh it out

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

Work with (2R,5S,13Ar)-8-methoxy-7,9-dioxo-2,3,4,5,7,9,13,13A-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-B][1,3]oxazepine-10-carboxylic acid

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

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)-1335210-34-865 % similar 1-(2,2-Dimethoxyethyl)-5-methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylic acid1335210-23-553 % similar (2R,5S,13Ar)-2,3,4,5,7,9,13,13A-octahydro-8-hydroxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,5-methanopyrido[1′,2′:4,5]pyrazino[2,1-B][1,3]oxazepine-10-carboxamide1611493-60-751 % similar (4R,12As)-N-(2,4-difluorobenzyl)-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-carboxamide1335210-35-942 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid112811-72-036 % similar Balofloxacin127294-70-634 % similar Dolutegravir1051375-16-634 % similar Cabotegravir1051375-10-034 % similar

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

Same formula

(2,5-Dioxopyrrolidin-1-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate3401-36-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook