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- ChemComp-04S: (3R)-pyrrolidin-3-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: 04S
NameName: (3R)-pyrrolidin-3-amine

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Chemical information

Composition
Formula: C4H10N2 / Number of atoms: 16 / Formula weight: 86.136 / Formal charge: 0
Others

3o6g

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 04S / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3O6G
History
Create componentAug 1, 2012
External linksUniChem / ChemSpider / Brenda / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 12.01NC1CCNC1
CACTVS 3.370N[CH]1CCNC1
OpenEye OEToolkits 1.7.6C1CNCC1N

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SMILES CANONICAL

CACTVS 3.370N[C@@H]1CCNC1
OpenEye OEToolkits 1.7.6C1CNC[C@@H]1N

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InChI

InChI 1.03InChI=1S/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2/t4-/m1/s1

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InChIKey

InChI 1.03NGXSWUFDCSEIOO-SCSAIBSYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(3R)-pyrrolidin-3-amine
OpenEye OEToolkits 1.7.6(3R)-pyrrolidin-3-amine

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PDB entries

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