2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid

C16H20F4N2O3 — CID 122043789

IUPAC2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(Cc2ccc(F)cc2C(F)(F)F)CCO1
InChIInChI=1S/C16H20F4N2O3/c1-21(10-15(23)24)8-13-9-22(4-5-25-13)7-11-2-3-12(17)6-14(11)16(18,19)20/h2-3,6,13H,4-5,7-10H2,1H3,(H,23,24)
InChIKeyXROOKZYGXMOWRT-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.06
Rot. Bonds6

About 2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122043789) has the molecular formula C16H20F4N2O3 and a molecular weight of 364.34 g/mol. Its IUPAC name is 2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122043789
Molecular FormulaC16H20F4N2O3
Molecular Weight364.34 g/mol
Exact Mass364.14
IUPAC Name2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(Cc2ccc(F)cc2C(F)(F)F)CCO1
InChIInChI=1S/C16H20F4N2O3/c1-21(10-15(23)24)8-13-9-22(4-5-25-13)7-11-2-3-12(17)6-14(11)16(18,19)20/h2-3,6,13H,4-5,7-10H2,1H3,(H,23,24)
InChIKeyXROOKZYGXMOWRT-UHFFFAOYSA-N
XLogP2.06
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid with MolForge

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Related Compounds

2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606698
2-[[4-[(2-cyclopentyloxyphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043587
2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043743
2-[[4-[(4-bromo-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043553
2-[[4-[(4,5-dichlorothiophen-3-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043695
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043633
2-[methyl-[[4-[(4-phenylsulfanylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043801
2-[methyl-[[4-[(5-phenylthiophen-2-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043678
2-[[4-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043580
2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043734
2-[methyl-[[(2S)-4-[(8-methylquinolin-6-yl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 164639926

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122043789) is 2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(Cc2ccc(F)cc2C(F)(F)F)CCO1.
What is the InChIKey of 2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is XROOKZYGXMOWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N2O3/c1-21(10-15(23)24)8-13-9-22(4-5-25-13)7-11-2-3-12(17)6-14(11)16(18,19)20/h2-3,6,13H,4-5,7-10H2,1H3,(H,23,24).
What are the key properties of 2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 364.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122043789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).