(S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-F]indolizine-3,6,10(4H)-trione

C₁₃H₁₃NO₅CAS 110351-94-5263.25 g/mol

Open in Covalent MOL file

Alcohol Ester Ketone Lactone

Properties

Molecular formula: C₁₃H₁₃NO₅
Molar mass: 263.25 g/mol
Exact mass: 263.0794 Da
logP: 0.09Crippen estimate
Polar surface area: 85.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

110351-94-5

SMILES

CC[C@@]1(C2=C(COC1=O)C(=O)N3CCC(=O)C3=C2)O

InChIKey

IGKWOGMVAOYVSJ-ZDUSSCGKSA-N

InChI

InChI=1S/C13H13NO5/c1-2-13(18)8-5-9-10(15)3-4-14(9)11(16)7(8)6-19-12(13)17/h5,18H,2-4,6H2,1H3/t13-/m0/s1

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Names and synonyms

1 names

(4S)-4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano(3,4-f)indolizine-3,6,10(4H)-trione

Work with (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-F]indolizine-3,6,10(4H)-trione

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

Camptothecin7689-03-454 % similar 7-Ethylcamptothecin78287-27-152 % similar 9-Hydroxycamptothecin67656-30-851 % similar 9-Aminocamptothecin91421-43-151 % similar Hydroxycamptothecin19685-09-750 % similar 9-Methoxycamptothecin39026-92-150 % similar 4-Ethyl-4,9-dihydroxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-B]quinoline-3,14(4H,12H)-dione64439-81-250 % similar Sn-3886639-52-348 % similar

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

Same formula

1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 1,1-dimethylethyl carbonate15263-20-4 γ-Benzyl L-glutamate N-carboxyanhydride3190-71-4 1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate32159-21-0 N-Succinimidyl 3-(4-hydroxyphenyl)propionate34071-95-9

Elsewhere

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