cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid

C14H23NO4 — CID 124552883

IUPACcis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)O)C2)C[C@@H](C)O1
InChIInChI=1S/C14H23NO4/c1-9-7-15(8-10(2)19-9)13(16)11-4-3-5-12(6-11)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18)/t9-,10-,11-,12+/m1/s1
InChIKeyCAJSRNOXACEBJT-KKOKHZNYSA-N
MW269.34 g/mol
LogP1.51
Rot. Bonds2

About cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid

cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 124552883) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID124552883
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namecis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
SMILESC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)O)C2)C[C@@H](C)O1
InChIInChI=1S/C14H23NO4/c1-9-7-15(8-10(2)19-9)13(16)11-4-3-5-12(6-11)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18)/t9-,10-,11-,12+/m1/s1
InChIKeyCAJSRNOXACEBJT-KKOKHZNYSA-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

4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
(3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958585
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
trans-(1S,2S)-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 124574972
3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63789770
(2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone
CID 81123196
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-piperidin-3-ylmethanone
CID 103840886
1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721542
cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114093101
(3S,4S)-1-(3-fluorocyclohexanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122126142

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid (CID 124552883) is cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid is C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)O)C2)C[C@@H](C)O1.
What is the InChIKey of cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is CAJSRNOXACEBJT-KKOKHZNYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-9-7-15(8-10(2)19-9)13(16)11-4-3-5-12(6-11)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18)/t9-,10-,11-,12+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
cis-(1S,3R)-3-[(2R,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 cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 124552883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).