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

C14H16F3NO3 — CID 124704543

IUPAC3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
SMILESO=C(O)CCN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)11-3-1-2-10(8-11)12-9-18(6-7-21-12)5-4-13(19)20/h1-3,8,12H,4-7,9H2,(H,19,20)/t12-/m1/s1
InChIKeyDWRQKHPRCHTOGZ-GFCCVEGCSA-N
MW303.28 g/mol
LogP2.55
Rot. Bonds4

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

3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid (PubChem CID 124704543) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
PubChem CID124704543
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
SMILESO=C(O)CCN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)11-3-1-2-10(8-11)12-9-18(6-7-21-12)5-4-13(19)20/h1-3,8,12H,4-7,9H2,(H,19,20)/t12-/m1/s1
InChIKeyDWRQKHPRCHTOGZ-GFCCVEGCSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 51001912
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate
CID 71981585
4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid
CID 124606773
3-[2-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 87243672
N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide
CID 16892603
3-[2-[4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 67033149
(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124692216
3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 124564162
3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
CID 66654044
3-[2-[4-(benzenesulfonyl)phenyl]morpholin-4-yl]propanoic acid
CID 56599119
3-[2-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032139

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid?
The IUPAC name of 3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid (CID 124704543) is 3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid is O=C(O)CCN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid?
The InChIKey is DWRQKHPRCHTOGZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16F3NO3/c15-14(16,17)11-3-1-2-10(8-11)12-9-18(6-7-21-12)5-4-13(19)20/h1-3,8,12H,4-7,9H2,(H,19,20)/t12-/m1/s1.
What are the key properties of 3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid?
3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid has a molecular weight of 303.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid is sourced from PubChem (CID 124704543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).