5-methyl-1-morpholin-4-yl-2-propan-2-ylcyclohexane-1-carboxylic acid

C15H27NO3 — CID 43803262

IUPAC5-methyl-1-morpholin-4-yl-2-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(C)C)C(C(=O)O)(N2CCOCC2)C1
InChIInChI=1S/C15H27NO3/c1-11(2)13-5-4-12(3)10-15(13,14(17)18)16-6-8-19-9-7-16/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyFVUBFJIUVYIWMP-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.23
Rot. Bonds3

About 5-methyl-1-morpholin-4-yl-2-propan-2-ylcyclohexane-1-carboxylic acid

5-methyl-1-morpholin-4-yl-2-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 43803262) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 5-methyl-1-morpholin-4-yl-2-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-morpholin-4-yl-2-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID43803262
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name5-methyl-1-morpholin-4-yl-2-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(C)C)C(C(=O)O)(N2CCOCC2)C1
InChIInChI=1S/C15H27NO3/c1-11(2)13-5-4-12(3)10-15(13,14(17)18)16-6-8-19-9-7-16/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyFVUBFJIUVYIWMP-UHFFFAOYSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-morpholin-4-yl-2-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 5-methyl-1-morpholin-4-yl-2-propan-2-ylcyclohexane-1-carboxylic acid (CID 43803262) is 5-methyl-1-morpholin-4-yl-2-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 5-methyl-1-morpholin-4-yl-2-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 5-methyl-1-morpholin-4-yl-2-propan-2-ylcyclohexane-1-carboxylic acid is CC1CCC(C(C)C)C(C(=O)O)(N2CCOCC2)C1.
What is the InChIKey of 5-methyl-1-morpholin-4-yl-2-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is FVUBFJIUVYIWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(2)13-5-4-12(3)10-15(13,14(17)18)16-6-8-19-9-7-16/h11-13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 5-methyl-1-morpholin-4-yl-2-propan-2-ylcyclohexane-1-carboxylic acid?
5-methyl-1-morpholin-4-yl-2-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-morpholin-4-yl-2-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43803262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).