(2-methylcyclohexyl) 3-morpholin-4-ylpropanoate

C14H25NO3 — CID 70867557

IUPAC(2-methylcyclohexyl) 3-morpholin-4-ylpropanoate
SMILESCC1CCCCC1OC(=O)CCN1CCOCC1
InChIInChI=1S/C14H25NO3/c1-12-4-2-3-5-13(12)18-14(16)6-7-15-8-10-17-11-9-15/h12-13H,2-11H2,1H3
InChIKeyYQWRZUIQSWYBSU-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.83
Rot. Bonds4

About (2-methylcyclohexyl) 3-morpholin-4-ylpropanoate

(2-methylcyclohexyl) 3-morpholin-4-ylpropanoate (PubChem CID 70867557) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2-methylcyclohexyl) 3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Name(2-methylcyclohexyl) 3-morpholin-4-ylpropanoate
PubChem CID70867557
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2-methylcyclohexyl) 3-morpholin-4-ylpropanoate
SMILESCC1CCCCC1OC(=O)CCN1CCOCC1
InChIInChI=1S/C14H25NO3/c1-12-4-2-3-5-13(12)18-14(16)6-7-15-8-10-17-11-9-15/h12-13H,2-11H2,1H3
InChIKeyYQWRZUIQSWYBSU-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) 3-morpholin-4-ylpropanoate?
The IUPAC name of (2-methylcyclohexyl) 3-morpholin-4-ylpropanoate (CID 70867557) is (2-methylcyclohexyl) 3-morpholin-4-ylpropanoate.
What is the SMILES notation for (2-methylcyclohexyl) 3-morpholin-4-ylpropanoate?
The canonical SMILES for (2-methylcyclohexyl) 3-morpholin-4-ylpropanoate is CC1CCCCC1OC(=O)CCN1CCOCC1.
What is the InChIKey of (2-methylcyclohexyl) 3-morpholin-4-ylpropanoate?
The InChIKey is YQWRZUIQSWYBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-12-4-2-3-5-13(12)18-14(16)6-7-15-8-10-17-11-9-15/h12-13H,2-11H2,1H3.
What are the key properties of (2-methylcyclohexyl) 3-morpholin-4-ylpropanoate?
(2-methylcyclohexyl) 3-morpholin-4-ylpropanoate has a molecular weight of 255.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) 3-morpholin-4-ylpropanoate is sourced from PubChem (CID 70867557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).