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

C17H20F3NO4 — CID 124688467

IUPAC2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
SMILESC[C@@H](CC(=O)N1CCO[C@@H](CC(=O)O)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3NO4/c1-11(12-2-4-13(5-3-12)17(18,19)20)8-15(22)21-6-7-25-14(10-21)9-16(23)24/h2-5,11,14H,6-10H2,1H3,(H,23,24)/t11-,14-/m0/s1
InChIKeyWGVZSJSKMQQKSZ-FZMZJTMJSA-N
MW359.34 g/mol
LogP2.90
Rot. Bonds5

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

2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid (PubChem CID 124688467) has the molecular formula C17H20F3NO4 and a molecular weight of 359.34 g/mol. Its IUPAC name is 2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
PubChem CID124688467
Molecular FormulaC17H20F3NO4
Molecular Weight359.34 g/mol
Exact Mass359.13
IUPAC Name2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
SMILESC[C@@H](CC(=O)N1CCO[C@@H](CC(=O)O)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3NO4/c1-11(12-2-4-13(5-3-12)17(18,19)20)8-15(22)21-6-7-25-14(10-21)9-16(23)24/h2-5,11,14H,6-10H2,1H3,(H,23,24)/t11-,14-/m0/s1
InChIKeyWGVZSJSKMQQKSZ-FZMZJTMJSA-N
XLogP2.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 119248672
2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 124692935
4-[3-[4-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 119240108
2-[4-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 119248673
2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124692942
2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid
CID 125132179
2-[4-[2-(4-tert-butylphenyl)sulfanylacetyl]morpholin-2-yl]acetic acid
CID 119247943
4-[3-[3-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 119239777
2-[(2R)-4-[(2R)-2-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 124683785
2-[4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid
CID 120527605
2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125132677
1-(3-anilinopyrrolidin-1-yl)-3-[4-(trifluoromethyl)phenyl]butan-1-one
CID 56503062

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid (CID 124688467) is 2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid is C[C@@H](CC(=O)N1CCO[C@@H](CC(=O)O)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid?
The InChIKey is WGVZSJSKMQQKSZ-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H20F3NO4/c1-11(12-2-4-13(5-3-12)17(18,19)20)8-15(22)21-6-7-25-14(10-21)9-16(23)24/h2-5,11,14H,6-10H2,1H3,(H,23,24)/t11-,14-/m0/s1.
What are the key properties of 2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid has a molecular weight of 359.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124688467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).