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

C17H20F3NO4 — CID 124692935

IUPAC2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
SMILESC[C@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3NO4/c1-11(12-3-2-4-13(8-12)17(18,19)20)7-15(22)21-5-6-25-14(10-21)9-16(23)24/h2-4,8,11,14H,5-7,9-10H2,1H3,(H,23,24)/t11-,14-/m1/s1
InChIKeyMACDDXVAEUBKRQ-BXUZGUMPSA-N
MW359.34 g/mol
LogP2.90
Rot. Bonds5

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

2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid (PubChem CID 124692935) has the molecular formula C17H20F3NO4 and a molecular weight of 359.34 g/mol. Its IUPAC name is 2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
PubChem CID124692935
Molecular FormulaC17H20F3NO4
Molecular Weight359.34 g/mol
Exact Mass359.13
IUPAC Name2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
SMILESC[C@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3NO4/c1-11(12-3-2-4-13(8-12)17(18,19)20)7-15(22)21-5-6-25-14(10-21)9-16(23)24/h2-4,8,11,14H,5-7,9-10H2,1H3,(H,23,24)/t11-,14-/m1/s1
InChIKeyMACDDXVAEUBKRQ-BXUZGUMPSA-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-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 124688467
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-[3-[2-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 119248673
(3S)-1-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-3-carboxylic acid
CID 124693007
(3S)-1-[(3S)-3-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-3-carboxylic acid
CID 124688507
1-(3-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]butan-1-one
CID 119576666
2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124692942
1-[3-(methylamino)piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119488101
1-[4-(methylamino)piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]butan-1-one
CID 119560149
4-[3-[4-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 119240108

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid (CID 124692935) is 2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid is C[C@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid?
The InChIKey is MACDDXVAEUBKRQ-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H20F3NO4/c1-11(12-3-2-4-13(8-12)17(18,19)20)7-15(22)21-5-6-25-14(10-21)9-16(23)24/h2-4,8,11,14H,5-7,9-10H2,1H3,(H,23,24)/t11-,14-/m1/s1.
What are the key properties of 2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[(3R)-3-[3-(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-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124692935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).