2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid

C17H24F2N2O3 — CID 122043617

IUPAC2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCC(CN1CCOC(CN(C)CC(=O)O)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H24F2N2O3/c1-12(13-5-14(18)7-15(19)6-13)8-21-3-4-24-16(10-21)9-20(2)11-17(22)23/h5-7,12,16H,3-4,8-11H2,1-2H3,(H,22,23)
InChIKeyQJXUSEORBDRYPO-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.79
Rot. Bonds7

About 2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 122043617) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID122043617
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCC(CN1CCOC(CN(C)CC(=O)O)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H24F2N2O3/c1-12(13-5-14(18)7-15(19)6-13)8-21-3-4-24-16(10-21)9-20(2)11-17(22)23/h5-7,12,16H,3-4,8-11H2,1-2H3,(H,22,23)
InChIKeyQJXUSEORBDRYPO-UHFFFAOYSA-N
XLogP1.79
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid with MolForge

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Related Compounds

Acetic acid 1-(4-phenyl-piperidin-1-ylmethyl)-propyl ester
CID 15925889
Acetic acid 2-(4-phenyl-piperidin-1-yl)-ethyl ester
CID 15925891
1-(2-Acetoxy-ethyl)-1-methyl-4-phenyl-piperidinium
CID 15925894
Ethyl 2-(4-phenylpiperidino)acetate
CID 3829780
1-[2-(Acetyloxy)ethyl]-4-[4,4-bis(4-fluorophenyl)butyl]-1,4-dimethylpiperazinediium
CID 1032684
2-[4-[Bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid
CID 19992291
2-[3,3-Bis(3-fluorophenyl)propyl-methylamino]acetic acid
CID 21019838
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-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]acetic acid
CID 59036689
2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]propanoic acid
CID 59958984

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 122043617) is 2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid is CC(CN1CCOC(CN(C)CC(=O)O)C1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is QJXUSEORBDRYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-12(13-5-14(18)7-15(19)6-13)8-21-3-4-24-16(10-21)9-20(2)11-17(22)23/h5-7,12,16H,3-4,8-11H2,1-2H3,(H,22,23).
What are the key properties of 2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 342.39 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(3,5-difluorophenyl)propyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 122043617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).