4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid

C14H23NO4 — CID 98555777

IUPAC4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
SMILESC[C@@H]1CN(C(=O)C2CCC(C(=O)O)CC2)C[C@H](C)O1
InChIInChI=1S/C14H23NO4/c1-9-7-15(8-10(2)19-9)13(16)11-3-5-12(6-4-11)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18)/t9-,10+,11?,12?
InChIKeyUXQIIGKRWGRCBF-ZYANWLCNSA-N
MW269.34 g/mol
LogP1.51
Rot. Bonds2

About 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid

4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 98555777) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID98555777
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
SMILESC[C@@H]1CN(C(=O)C2CCC(C(=O)O)CC2)C[C@H](C)O1
InChIInChI=1S/C14H23NO4/c1-9-7-15(8-10(2)19-9)13(16)11-3-5-12(6-4-11)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18)/t9-,10+,11?,12?
InChIKeyUXQIIGKRWGRCBF-ZYANWLCNSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 124552883
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
(3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958585
[2-(aminomethyl)-6-methylmorpholin-4-yl]-cyclopropylmethanone
CID 102938416
trans-(1S,2S)-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 124574972
4-[[(2,6-dimethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79524647
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773
(2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119669803
(2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone
CID 81123196
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-piperidin-3-ylmethanone
CID 103840886
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid (CID 98555777) is 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid is C[C@@H]1CN(C(=O)C2CCC(C(=O)O)CC2)C[C@H](C)O1.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is UXQIIGKRWGRCBF-ZYANWLCNSA-N. The full InChI is InChI=1S/C14H23NO4/c1-9-7-15(8-10(2)19-9)13(16)11-3-5-12(6-4-11)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18)/t9-,10+,11?,12?.
What are the key properties of 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 98555777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).