2-[methyl-[[4-[2-[4-(trifluoromethyl)phenyl]propyl]morpholin-2-yl]methyl]amino]acetic acid

C18H25F3N2O3 — CID 122043658

IUPAC2-[methyl-[[4-[2-[4-(trifluoromethyl)phenyl]propyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCC(CN1CCOC(CN(C)CC(=O)O)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H25F3N2O3/c1-13(14-3-5-15(6-4-14)18(19,20)21)9-23-7-8-26-16(11-23)10-22(2)12-17(24)25/h3-6,13,16H,7-12H2,1-2H3,(H,24,25)
InChIKeyXTQTXCFTRAKOOX-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.53
Rot. Bonds7

About 2-[methyl-[[4-[2-[4-(trifluoromethyl)phenyl]propyl]morpholin-2-yl]methyl]amino]acetic acid

2-[methyl-[[4-[2-[4-(trifluoromethyl)phenyl]propyl]morpholin-2-yl]methyl]amino]acetic acid (PubChem CID 122043658) has the molecular formula C18H25F3N2O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[methyl-[[4-[2-[4-(trifluoromethyl)phenyl]propyl]morpholin-2-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[4-[2-[4-(trifluoromethyl)phenyl]propyl]morpholin-2-yl]methyl]amino]acetic acid
PubChem CID122043658
Molecular FormulaC18H25F3N2O3
Molecular Weight374.40 g/mol
Exact Mass374.18
IUPAC Name2-[methyl-[[4-[2-[4-(trifluoromethyl)phenyl]propyl]morpholin-2-yl]methyl]amino]acetic acid
SMILESCC(CN1CCOC(CN(C)CC(=O)O)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H25F3N2O3/c1-13(14-3-5-15(6-4-14)18(19,20)21)9-23-7-8-26-16(11-23)10-22(2)12-17(24)25/h3-6,13,16H,7-12H2,1-2H3,(H,24,25)
InChIKeyXTQTXCFTRAKOOX-UHFFFAOYSA-N
XLogP2.53
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

Acetic acid 1-(4-phenyl-piperidin-1-ylmethyl)-propyl ester
CID 15925889
1-(2-Acetoxy-ethyl)-1-methyl-4-phenyl-piperidinium
CID 15925894
Ethyl 2-(4-phenylpiperidino)acetate
CID 3829780
Piperidinium, 1-(carboxymethyl)-1-(3-(p-methylbenzyl)-2-butenyl)-, chloride, ethyl ester
CID 6445944
Ethyl 2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetate
CID 46086687
2-[4-[2-[2-(Trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetic acid
CID 75371976
[(2S)-1-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-2-yl] acetate
CID 46089285
2-[Methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetic acid
CID 21019876
Ethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate
CID 21019920
Ethyl 2-[3,3-bis(4-fluorophenyl)propyl-methylamino]acetate
CID 21019926
Ethyl 2-[3,3-bis(3-fluorophenyl)propyl-methylamino]acetate
CID 21019927
2-(3-(Phenyl(4-(trifluoromethyl)-phenyl)methyl)piperidin-1-yl)acetic acid
CID 42641648

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-[2-[4-(trifluoromethyl)phenyl]propyl]morpholin-2-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[4-[2-[4-(trifluoromethyl)phenyl]propyl]morpholin-2-yl]methyl]amino]acetic acid (CID 122043658) is 2-[methyl-[[4-[2-[4-(trifluoromethyl)phenyl]propyl]morpholin-2-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[4-[2-[4-(trifluoromethyl)phenyl]propyl]morpholin-2-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[4-[2-[4-(trifluoromethyl)phenyl]propyl]morpholin-2-yl]methyl]amino]acetic acid is CC(CN1CCOC(CN(C)CC(=O)O)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[methyl-[[4-[2-[4-(trifluoromethyl)phenyl]propyl]morpholin-2-yl]methyl]amino]acetic acid?
The InChIKey is XTQTXCFTRAKOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O3/c1-13(14-3-5-15(6-4-14)18(19,20)21)9-23-7-8-26-16(11-23)10-22(2)12-17(24)25/h3-6,13,16H,7-12H2,1-2H3,(H,24,25).
What are the key properties of 2-[methyl-[[4-[2-[4-(trifluoromethyl)phenyl]propyl]morpholin-2-yl]methyl]amino]acetic acid?
2-[methyl-[[4-[2-[4-(trifluoromethyl)phenyl]propyl]morpholin-2-yl]methyl]amino]acetic acid has a molecular weight of 374.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-[2-[4-(trifluoromethyl)phenyl]propyl]morpholin-2-yl]methyl]amino]acetic acid is sourced from PubChem (CID 122043658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).