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- ChemComp-LQV: (2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: LQV
NameName: (2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide

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Chemical information

Composition
Formula: C11H14N2O2 / Number of atoms: 29 / Formula weight: 206.241 / Formal charge: 0
Others

5smi

Type: non-polymer / PDB classification: HETAIN / Three letter code: LQV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5SMI
History
Create componentMar 4, 2022
Initial releaseMar 16, 2022
External linksUniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(Nc1ccc(C)cn1)C1CCCO1
CACTVS 3.385Cc1ccc(NC(=O)[CH]2CCCO2)nc1
OpenEye OEToolkits 2.0.7Cc1ccc(nc1)NC(=O)C2CCCO2

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SMILES CANONICAL

CACTVS 3.385Cc1ccc(NC(=O)[C@@H]2CCCO2)nc1
OpenEye OEToolkits 2.0.7Cc1ccc(nc1)NC(=O)[C@@H]2CCCO2

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InChI

InChI 1.03InChI=1S/C11H14N2O2/c1-8-4-5-10(12-7-8)13-11(14)9-3-2-6-15-9/h4-5,7,9H,2-3,6H2,1H3,(H,12,13,14)/t9-/m0/s1

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InChIKey

InChI 1.03BFRXGCPOQMOBHK-VIFPVBQESA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide
OpenEye OEToolkits 2.0.7(2~{S})-~{N}-(5-methylpyridin-2-yl)oxolane-2-carboxamide

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PDB entries

Showing all 3 items

PDB-5smi:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z71580604

PDB-7h3k:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z71580604 (A71EV2A-x0416)

PDB-7hkj:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z71580604 (DNV2_NS5A-x0254)

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