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

C15H14F3NO7 — CID 67221715

IUPAC(2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid
SMILESCC(=O)O[C@@H](C(=O)O)C1OCCN(c2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C15H14F3NO7/c1-8(20)25-12(14(22)23)11-13(21)19(5-6-24-11)9-3-2-4-10(7-9)26-15(16,17)18/h2-4,7,11-12H,5-6H2,1H3,(H,22,23)/t11?,12-/m1/s1
InChIKeyBTRYKDNZJYMWKJ-PIJUOVFKSA-N
MW377.27 g/mol
LogP1.33
Rot. Bonds5

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

(2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid (PubChem CID 67221715) has the molecular formula C15H14F3NO7 and a molecular weight of 377.27 g/mol. Its IUPAC name is (2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid
PubChem CID67221715
Molecular FormulaC15H14F3NO7
Molecular Weight377.27 g/mol
Exact Mass377.07
IUPAC Name(2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid
SMILESCC(=O)O[C@@H](C(=O)O)C1OCCN(c2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C15H14F3NO7/c1-8(20)25-12(14(22)23)11-13(21)19(5-6-24-11)9-3-2-4-10(7-9)26-15(16,17)18/h2-4,7,11-12H,5-6H2,1H3,(H,22,23)/t11?,12-/m1/s1
InChIKeyBTRYKDNZJYMWKJ-PIJUOVFKSA-N
XLogP1.33
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid?
The IUPAC name of (2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid (CID 67221715) is (2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for (2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid?
The canonical SMILES for (2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid is CC(=O)O[C@@H](C(=O)O)C1OCCN(c2cccc(OC(F)(F)F)c2)C1=O.
What is the InChIKey of (2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid?
The InChIKey is BTRYKDNZJYMWKJ-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H14F3NO7/c1-8(20)25-12(14(22)23)11-13(21)19(5-6-24-11)9-3-2-4-10(7-9)26-15(16,17)18/h2-4,7,11-12H,5-6H2,1H3,(H,22,23)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid?
(2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid has a molecular weight of 377.27 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 67221715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).