(2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid

C15H14F3NO6 — CID 67223125

IUPAC(2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid
SMILESCC(=O)O[C@@H](C(=O)O)C1OCCN(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C15H14F3NO6/c1-8(20)25-12(14(22)23)11-13(21)19(6-7-24-11)10-4-2-9(3-5-10)15(16,17)18/h2-5,11-12H,6-7H2,1H3,(H,22,23)/t11?,12-/m1/s1
InChIKeyVGYJKHMLRHEYKM-PIJUOVFKSA-N
MW361.27 g/mol
LogP1.45
Rot. Bonds4

About (2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid

(2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid (PubChem CID 67223125) has the molecular formula C15H14F3NO6 and a molecular weight of 361.27 g/mol. Its IUPAC name is (2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid
PubChem CID67223125
Molecular FormulaC15H14F3NO6
Molecular Weight361.27 g/mol
Exact Mass361.08
IUPAC Name(2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid
SMILESCC(=O)O[C@@H](C(=O)O)C1OCCN(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C15H14F3NO6/c1-8(20)25-12(14(22)23)11-13(21)19(6-7-24-11)10-4-2-9(3-5-10)15(16,17)18/h2-5,11-12H,6-7H2,1H3,(H,22,23)/t11?,12-/m1/s1
InChIKeyVGYJKHMLRHEYKM-PIJUOVFKSA-N
XLogP1.45
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-Oxo-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 118567678
Ethyl 2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetate
CID 58181520
Methyl 2-hydroxy-4-oxo-4-(4-toluidino)-2-(trifluoromethyl)butanoate
CID 3127874
Ethyl 4-[(4-ethylphenyl)amino]-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
CID 19578105
Ethyl 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetate
CID 54281327
2-[3-[4-Fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 54282191
(2R,3R)-2,3-diacetyloxy-4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 57984501
(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butanamide
CID 57984508
(2R,3R)-2,3-diacetyloxy-4-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methylamino]-4-oxobutanoic acid
CID 57985315
(R)-tert-butyl 2-hydroxy-2-((R)-3-oxo-4-(4-(trifluoromethyl)phenyl)morpholin-2-yl)acetate
CID 58181382
(R)-2-acetoxy-2-((R)-4-(3,5-bis(trifluoromethyl)phenyl)-3-oxomorpholin-2-yl)acetic acid
CID 58181384
tert-butyl (2R)-2-[(2R)-4-[3,5-bis(trifluoromethyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 58181395

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid?
The IUPAC name of (2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid (CID 67223125) is (2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for (2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid?
The canonical SMILES for (2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid is CC(=O)O[C@@H](C(=O)O)C1OCCN(c2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of (2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid?
The InChIKey is VGYJKHMLRHEYKM-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H14F3NO6/c1-8(20)25-12(14(22)23)11-13(21)19(6-7-24-11)10-4-2-9(3-5-10)15(16,17)18/h2-5,11-12H,6-7H2,1H3,(H,22,23)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid?
(2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid has a molecular weight of 361.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyloxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 67223125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).