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8CN : Summary
Code
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8CN
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One-letter code
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X
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Molecule name
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(2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
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Systematic names
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Formula
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C9 H18 N2 O
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Formal charge
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0
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Molecular weight
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170.252 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
CC1CCCCN1C(=O)C(C)N |
SMILES
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CACTVS |
3.385 |
C[CH](N)C(=O)N1CCCC[CH]1C |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1CCCCN1C(=O)C(C)N |
Canonical SMILES
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CACTVS |
3.385 |
C[C@@H](N)C(=O)N1CCCC[C@@H]1C |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C[C@H]1CCCCN1C(=O)[C@@H](C)N |
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IUPAC InChI | InChI=1S/C9H18N2O/c1-7-5-3-4-6-11(7)9(12)8(2)10/h7-8H,3-6,10H2,1-2H3/t7-,8+/m0/s1 |
IUPAC InChI key | FZZIMRQDJKXDFD-JGVFFNPUSA-N |
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wwPDB Information |
Atom count
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30 (12 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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non-polymer
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2021-09-14
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Last modified at
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2021-09-17
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Status
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Released
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Obsoleted
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Not Assigned
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