(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid

C14H16F3NO3 — CID 124692216

IUPAC(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
SMILESC[C@@H](C(=O)O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3NO3/c1-9(13(19)20)18-5-6-21-12(8-18)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,9,12H,5-6,8H2,1H3,(H,19,20)/t9-,12+/m0/s1
InChIKeyICUTVMYANBUFOE-JOYOIKCWSA-N
MW303.28 g/mol
LogP2.55
Rot. Bonds3

About (2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid

(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid (PubChem CID 124692216) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
PubChem CID124692216
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
SMILESC[C@@H](C(=O)O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3NO3/c1-9(13(19)20)18-5-6-21-12(8-18)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,9,12H,5-6,8H2,1H3,(H,19,20)/t9-,12+/m0/s1
InChIKeyICUTVMYANBUFOE-JOYOIKCWSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124704543
(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid
CID 125130202
methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate
CID 71981585
2-[2-(3-bromophenyl)morpholin-4-yl]propanamide
CID 51102088
(2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid
CID 124692219
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid
CID 125152344
[(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride
CID 120935931
2-[2-(2,3-dimethoxyphenyl)morpholin-4-yl]propanoic acid
CID 57242341
2-[2-(3-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
CID 51130064
1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405304
2-methyl-3-oxo-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 122066523
(2R)-2-(3-fluorophenyl)-4-[(1S)-1-phenylethyl]morpholine
CID 67352838

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid?
The IUPAC name of (2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid (CID 124692216) is (2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid is C[C@@H](C(=O)O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid?
The InChIKey is ICUTVMYANBUFOE-JOYOIKCWSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-9(13(19)20)18-5-6-21-12(8-18)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,9,12H,5-6,8H2,1H3,(H,19,20)/t9-,12+/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid?
(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid has a molecular weight of 303.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid is sourced from PubChem (CID 124692216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).