2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid

C15H27NO3 — CID 64529304

IUPAC2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid
SMILESCCCC1CCC(CC(=O)O)(N2CCOCC2)CC1
InChIInChI=1S/C15H27NO3/c1-2-3-13-4-6-15(7-5-13,12-14(17)18)16-8-10-19-11-9-16/h13H,2-12H2,1H3,(H,17,18)
InChIKeyIJUJVAVXJGXTID-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.52
Rot. Bonds5

About 2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid

2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid (PubChem CID 64529304) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid
PubChem CID64529304
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid
SMILESCCCC1CCC(CC(=O)O)(N2CCOCC2)CC1
InChIInChI=1S/C15H27NO3/c1-2-3-13-4-6-15(7-5-13,12-14(17)18)16-8-10-19-11-9-16/h13H,2-12H2,1H3,(H,17,18)
InChIKeyIJUJVAVXJGXTID-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid
CID 65094530
2-(3,4-dimethyl-1-morpholin-4-ylcyclohexyl)acetic acid
CID 64745099
2-(1-morpholin-4-ylcycloheptyl)acetic acid
CID 64527342
[1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine
CID 65089002
2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid
CID 64527345
2-[3-(4-propylazepan-1-yl)azetidin-3-yl]acetic acid
CID 107141865
2-[1-(azepan-1-yl)-4-methylcyclohexyl]acetic acid
CID 64527329
2-[4-(2-methylbutan-2-yl)-1-piperidin-1-ylcyclohexyl]acetic acid
CID 64527604
2-[1-(aminomethyl)-4-propylcyclohexyl]acetic acid;hydrochloride
CID 142651659
2-[1-(azepan-1-yl)-4-propan-2-ylcyclohexyl]acetic acid
CID 64529282
ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate
CID 64528602
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone
CID 65052366

Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid?
The IUPAC name of 2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid (CID 64529304) is 2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid?
The canonical SMILES for 2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid is CCCC1CCC(CC(=O)O)(N2CCOCC2)CC1.
What is the InChIKey of 2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid?
The InChIKey is IJUJVAVXJGXTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-3-13-4-6-15(7-5-13,12-14(17)18)16-8-10-19-11-9-16/h13H,2-12H2,1H3,(H,17,18).
What are the key properties of 2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid?
2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid has a molecular weight of 269.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-yl-4-propylcyclohexyl)acetic acid is sourced from PubChem (CID 64529304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).