VWM

(3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid

Created:	2020-09-17
Last modified:	2020-09-30

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1 entries where VWM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	0

2D diagram of VWM

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Chemical Component Summary
Name	(3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(3~{R})-1-ethanoyl-3-oxidanyl-piperidine-3-carboxylic acid
Formula	C₈ H₁₃ N O₄
Molecular Weight	187.193
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(CCCC(O)(C1)C(=O)O)C(C)=O
SMILES	CACTVS	3.385	CC(=O)N1CCC[C](O)(C1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCCC(C1)(C(=O)O)O
Canonical SMILES	CACTVS	3.385	CC(=O)N1CCC[C@@](O)(C1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCC[C@@](C1)(C(=O)O)O
InChI	InChI	1.03	InChI=1S/C8H13NO4/c1-6(10)9-4-2-3-8(13,5-9)7(11)12/h13H,2-5H2,1H3,(H,11,12)/t8-/m1/s1
InChIKey	InChI	1.03	CKOGPKPHDCYLTR-MRVPVSSYSA-N

Related Resource References

Resource Name	Reference
PubChem	124505295

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