3-cyclohexyl-2-morpholin-2-ylpropanoic acid

C13H23NO3 — CID 67442590

IUPAC3-cyclohexyl-2-morpholin-2-ylpropanoic acid
SMILESO=C(O)C(CC1CCCCC1)C1CNCCO1
InChIInChI=1S/C13H23NO3/c15-13(16)11(12-9-14-6-7-17-12)8-10-4-2-1-3-5-10/h10-12,14H,1-9H2,(H,15,16)
InChIKeyIJHQOSWPPJEBLS-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.65
Rot. Bonds4

About 3-cyclohexyl-2-morpholin-2-ylpropanoic acid

3-cyclohexyl-2-morpholin-2-ylpropanoic acid (PubChem CID 67442590) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-cyclohexyl-2-morpholin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-morpholin-2-ylpropanoic acid
PubChem CID67442590
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-cyclohexyl-2-morpholin-2-ylpropanoic acid
SMILESO=C(O)C(CC1CCCCC1)C1CNCCO1
InChIInChI=1S/C13H23NO3/c15-13(16)11(12-9-14-6-7-17-12)8-10-4-2-1-3-5-10/h10-12,14H,1-9H2,(H,15,16)
InChIKeyIJHQOSWPPJEBLS-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-morpholin-2-ylpropanoic acid?
The IUPAC name of 3-cyclohexyl-2-morpholin-2-ylpropanoic acid (CID 67442590) is 3-cyclohexyl-2-morpholin-2-ylpropanoic acid.
What is the SMILES notation for 3-cyclohexyl-2-morpholin-2-ylpropanoic acid?
The canonical SMILES for 3-cyclohexyl-2-morpholin-2-ylpropanoic acid is O=C(O)C(CC1CCCCC1)C1CNCCO1.
What is the InChIKey of 3-cyclohexyl-2-morpholin-2-ylpropanoic acid?
The InChIKey is IJHQOSWPPJEBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-13(16)11(12-9-14-6-7-17-12)8-10-4-2-1-3-5-10/h10-12,14H,1-9H2,(H,15,16).
What are the key properties of 3-cyclohexyl-2-morpholin-2-ylpropanoic acid?
3-cyclohexyl-2-morpholin-2-ylpropanoic acid has a molecular weight of 241.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-morpholin-2-ylpropanoic acid is sourced from PubChem (CID 67442590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).