2,6-ditert-butylmorpholine;oxalic acid

C14H27NO5 — CID 121023541

IUPAC2,6-ditert-butylmorpholine;oxalic acid
SMILESCC(C)(C)C1CNCC(C(C)(C)C)O1.O=C(O)C(=O)O
InChIInChI=1S/C12H25NO.C2H2O4/c1-11(2,3)9-7-13-8-10(14-9)12(4,5)6;3-1(4)2(5)6/h9-10,13H,7-8H2,1-6H3;(H,3,4)(H,5,6)
InChIKeyAQBPRPDMAFWHBC-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.59
Rot. Bonds

About 2,6-ditert-butylmorpholine;oxalic acid

2,6-ditert-butylmorpholine;oxalic acid (PubChem CID 121023541) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2,6-ditert-butylmorpholine;oxalic acid.

Molecular Properties

Compound Name2,6-ditert-butylmorpholine;oxalic acid
PubChem CID121023541
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name2,6-ditert-butylmorpholine;oxalic acid
SMILESCC(C)(C)C1CNCC(C(C)(C)C)O1.O=C(O)C(=O)O
InChIInChI=1S/C12H25NO.C2H2O4/c1-11(2,3)9-7-13-8-10(14-9)12(4,5)6;3-1(4)2(5)6/h9-10,13H,7-8H2,1-6H3;(H,3,4)(H,5,6)
InChIKeyAQBPRPDMAFWHBC-UHFFFAOYSA-N
XLogP1.59
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[(2S,6R)-6-tert-butylmorpholin-2-yl]methanol
CID 169228697
2-tert-butyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carboxylic acid
CID 135375416
2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 91212132
oxalic acid;bis(3-(oxetan-3-yl)azetidine)
CID 84819356
(2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride
CID 178134265
oxalic acid;(2R,6S)-1,2,6-trimethylpiperazine
CID 155903876
2-chloro-2-methylpropane;9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid
CID 162147386
tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;oxalic acid
CID 175718664
6-oxa-3-azabicyclo[3.1.1]heptane;2,2,2-trifluoroacetic acid
CID 155294366
6,6-difluoro-3-azabicyclo[3.1.0]hexane;oxalic acid
CID 156592385
(3aS)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrrole;oxalic acid
CID 67720271
imidazolidine;oxalic acid
CID 174299002

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butylmorpholine;oxalic acid?
The IUPAC name of 2,6-ditert-butylmorpholine;oxalic acid (CID 121023541) is 2,6-ditert-butylmorpholine;oxalic acid.
What is the SMILES notation for 2,6-ditert-butylmorpholine;oxalic acid?
The canonical SMILES for 2,6-ditert-butylmorpholine;oxalic acid is CC(C)(C)C1CNCC(C(C)(C)C)O1.O=C(O)C(=O)O.
What is the InChIKey of 2,6-ditert-butylmorpholine;oxalic acid?
The InChIKey is AQBPRPDMAFWHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.C2H2O4/c1-11(2,3)9-7-13-8-10(14-9)12(4,5)6;3-1(4)2(5)6/h9-10,13H,7-8H2,1-6H3;(H,3,4)(H,5,6).
What are the key properties of 2,6-ditert-butylmorpholine;oxalic acid?
2,6-ditert-butylmorpholine;oxalic acid has a molecular weight of 289.37 g/mol, XLogP of 1.59, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butylmorpholine;oxalic acid is sourced from PubChem (CID 121023541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).