2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid

C16H27NO4 — CID 22053986

IUPAC2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid
SMILESO=C(O)C(CCC1CCCCC1)CC(=O)N1CCOCC1
InChIInChI=1S/C16H27NO4/c18-15(17-8-10-21-11-9-17)12-14(16(19)20)7-6-13-4-2-1-3-5-13/h13-14H,1-12H2,(H,19,20)
InChIKeyRJDAZKJKWRDZRC-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.30
Rot. Bonds6

About 2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid

2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid (PubChem CID 22053986) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid
PubChem CID22053986
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid
SMILESO=C(O)C(CCC1CCCCC1)CC(=O)N1CCOCC1
InChIInChI=1S/C16H27NO4/c18-15(17-8-10-21-11-9-17)12-14(16(19)20)7-6-13-4-2-1-3-5-13/h13-14H,1-12H2,(H,19,20)
InChIKeyRJDAZKJKWRDZRC-UHFFFAOYSA-N
XLogP2.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid?
The IUPAC name of 2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid (CID 22053986) is 2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid.
What is the SMILES notation for 2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid?
The canonical SMILES for 2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid is O=C(O)C(CCC1CCCCC1)CC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid?
The InChIKey is RJDAZKJKWRDZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c18-15(17-8-10-21-11-9-17)12-14(16(19)20)7-6-13-4-2-1-3-5-13/h13-14H,1-12H2,(H,19,20).
What are the key properties of 2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid?
2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid has a molecular weight of 297.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid is sourced from PubChem (CID 22053986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).