2BX

[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid

Created:	2013-09-19
Last modified:	2021-03-01

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1 entries where 2BX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	27
Aromatic Bond Count	0

2D diagram of 2BX

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Chemical Component Summary
Name	[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid
Synonyms	SCH50911
Systematic Name (OpenEye OEToolkits)	2-[(2S)-5,5-dimethylmorpholin-2-yl]ethanoic acid
Formula	C₈ H₁₅ N O₃
Molecular Weight	173.21
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CC1OCC(NC1)(C)C
SMILES	CACTVS	3.385	CC1(C)CO[CH](CN1)CC(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC1(COC(CN1)CC(=O)O)C
Canonical SMILES	CACTVS	3.385	CC1(C)CO[C@H](CN1)CC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC1(CO[C@H](CN1)CC(=O)O)C
InChI	InChI	1.03	InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKey	InChI	1.03	SEYCKMQSPUVYEF-LURJTMIESA-N

Related Resource References

Resource Name	Reference
PubChem	86294992, 5311429
ChEMBL	CHEMBL1895916

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