4-morpholin-4-ylcyclohexane-1-carboxylic acid

C11H19NO3 — CID 23062598

IUPAC4-morpholin-4-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C11H19NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h9-10H,1-8H2,(H,13,14)
InChIKeyHQOMQLIMVURTHI-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds2

About 4-morpholin-4-ylcyclohexane-1-carboxylic acid

4-morpholin-4-ylcyclohexane-1-carboxylic acid (PubChem CID 23062598) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-morpholin-4-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-morpholin-4-ylcyclohexane-1-carboxylic acid
PubChem CID23062598
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-morpholin-4-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C11H19NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h9-10H,1-8H2,(H,13,14)
InChIKeyHQOMQLIMVURTHI-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-morpholin-4-ylcyclohexyl)ethanone
CID 58356036
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
4-cyclopropylmorpholine;ethane
CID 155594914
4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid
CID 17369368
1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid
CID 51063823
1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63550050
1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid
CID 65056040
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61443231
(4-ethylpiperidin-1-yl)-(4-morpholin-4-ylcyclohexyl)methanone
CID 126834550
4-morpholin-4-ylpiperidine-1-carbonyl chloride
CID 15700344
4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63783007
[(3S)-3-morpholin-4-ylcyclopentyl]carbamic acid
CID 67502232

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-morpholin-4-ylcyclohexane-1-carboxylic acid (CID 23062598) is 4-morpholin-4-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-morpholin-4-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-morpholin-4-ylcyclohexane-1-carboxylic acid is O=C(O)C1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-morpholin-4-ylcyclohexane-1-carboxylic acid?
The InChIKey is HQOMQLIMVURTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h9-10H,1-8H2,(H,13,14).
What are the key properties of 4-morpholin-4-ylcyclohexane-1-carboxylic acid?
4-morpholin-4-ylcyclohexane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 23062598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).