1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid

C18H20F3NO4 — CID 120551770

IUPAC1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCC1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H20F3NO4/c19-18(20,21)13-4-2-12(3-5-13)14-11-22(8-9-26-14)15(23)10-17(16(24)25)6-1-7-17/h2-5,14H,1,6-11H2,(H,24,25)
InChIKeyWKAMJGOZHHQUSQ-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.25
Rot. Bonds4

About 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid

1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid (PubChem CID 120551770) has the molecular formula C18H20F3NO4 and a molecular weight of 371.36 g/mol. Its IUPAC name is 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid
PubChem CID120551770
Molecular FormulaC18H20F3NO4
Molecular Weight371.36 g/mol
Exact Mass371.13
IUPAC Name1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCC1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H20F3NO4/c19-18(20,21)13-4-2-12(3-5-13)14-11-22(8-9-26-14)15(23)10-17(16(24)25)6-1-7-17/h2-5,14H,1,6-11H2,(H,24,25)
InChIKeyWKAMJGOZHHQUSQ-UHFFFAOYSA-N
XLogP3.25
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-oxo-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 122066523
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111430703
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
1-[(2R)-2-[(2R)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]butan-1-one
CID 97350029
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43562549
2-cyclohexyl-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134744
[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 97350041
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
N-(1H-indol-6-yl)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 126781841
(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
CID 124700706
1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 119042146

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid (CID 120551770) is 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid is O=C(CC1(C(=O)O)CCC1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid?
The InChIKey is WKAMJGOZHHQUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO4/c19-18(20,21)13-4-2-12(3-5-13)14-11-22(8-9-26-14)15(23)10-17(16(24)25)6-1-7-17/h2-5,14H,1,6-11H2,(H,24,25).
What are the key properties of 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid?
1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid has a molecular weight of 371.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120551770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).