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K0V : Summary
Code ![](/pdbe/static/images/help.png)
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K0V
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C12 H22 N2 O3
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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242.315 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
N(C(C)(C)C)C(=O)N1CCC(CC1)C(OC)=O |
SMILES
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CACTVS |
3.385 |
COC(=O)C1CCN(CC1)C(=O)NC(C)(C)C |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(C)(C)NC(=O)N1CCC(CC1)C(=O)OC |
Canonical SMILES
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CACTVS |
3.385 |
COC(=O)C1CCN(CC1)C(=O)NC(C)(C)C |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(C)(C)NC(=O)N1CCC(CC1)C(=O)OC |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H22N2O3/c1-12(2,3)13-11(16)14-7-5-9(6-8-14)10(15)17-4/h9H,5-8H2,1-4H3,(H,13,16) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | YNDIZCMKDPECRX-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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39 (17 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2018-10-25
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Last modified at ![](/pdbe/static/images/help.png)
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2018-12-14
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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