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- ChemComp-O3A: (3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: O3A
NameName: (3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide

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Chemical information

Composition
Formula: C12H16N2O / Number of atoms: 31 / Formula weight: 204.268 / Formal charge: 0
Others

5qst

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: O3A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QST
History
Create componentJun 6, 2019
Initial releaseAug 21, 2019
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 12.01N(C(C1CCNC1)=O)(c2ccccc2)C
CACTVS 3.385CN(C(=O)[CH]1CCNC1)c2ccccc2
OpenEye OEToolkits 2.0.6CN(c1ccccc1)C(=O)C2CCNC2

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SMILES CANONICAL

CACTVS 3.385CN(C(=O)[C@H]1CCNC1)c2ccccc2
OpenEye OEToolkits 2.0.6CN(c1ccccc1)C(=O)[C@H]2CCNC2

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InChI

InChI 1.03InChI=1S/C12H16N2O/c1-14(11-5-3-2-4-6-11)12(15)10-7-8-13-9-10/h2-6,10,13H,7-9H2,1H3/t10-/m0/s1

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InChIKey

InChI 1.03VZIWWLIHHFDZEO-JTQLQIEISA-N

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SYSTEMATIC NAME

ACDLabs 12.01(3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide
OpenEye OEToolkits 2.0.6(3~{S})-~{N}-methyl-~{N}-phenyl-pyrrolidine-3-carboxamide

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PDB entries

Showing all 3 items

PDB-5qst:
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2447286438

PDB-5rxi:
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2447286438

PDB-7h4m:
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 Z1457921102 (A71EV2A-x0911)

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