3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid

C12H19NO4 — CID 63789770

IUPAC3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C12H19NO4/c14-11(13-4-6-17-7-5-13)9-2-1-3-10(8-9)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyWWTHHDMQADSWDF-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.74
Rot. Bonds2

About 3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid

3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 63789770) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID63789770
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C12H19NO4/c14-11(13-4-6-17-7-5-13)9-2-1-3-10(8-9)12(15)16/h9-10H,1-8H2,(H,15,16)
InChIKeyWWTHHDMQADSWDF-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63783007
3-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63782956
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55467380
3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782292
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124513759
cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 124552883
cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98549374
(9-amino-3-bicyclo[3.3.1]nonanyl)-morpholin-4-ylmethanone;hydrochloride
CID 120983451
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314

Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid (CID 63789770) is 3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of 3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is WWTHHDMQADSWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(13-4-6-17-7-5-13)9-2-1-3-10(8-9)12(15)16/h9-10H,1-8H2,(H,15,16).
What are the key properties of 3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid?
3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63789770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).