2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

C11H19F3N2O3 — CID 79258676

IUPAC2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCN1CCOC(CN(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O3/c1-2-15-3-4-19-9(5-15)6-16(7-10(17)18)8-11(12,13)14/h9H,2-8H2,1H3,(H,17,18)
InChIKeyIXFWBMQJOOILBY-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.66
Rot. Bonds6

About 2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258676) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258676
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCN1CCOC(CN(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O3/c1-2-15-3-4-19-9(5-15)6-16(7-10(17)18)8-11(12,13)14/h9H,2-8H2,1H3,(H,17,18)
InChIKeyIXFWBMQJOOILBY-UHFFFAOYSA-N
XLogP0.66
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488358
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-N-methylpropanamide
CID 155582749
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043734
3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol
CID 115666180
2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid
CID 107440392
2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid
CID 114400930
3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid
CID 79172488
2,4-diethylmorpholine
CID 58988021
N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79164190
2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258592
2-[methyl-[[4-[(4-methylcyclohexyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043779

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258676) is 2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is CCN1CCOC(CN(CC(=O)O)CC(F)(F)F)C1.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is IXFWBMQJOOILBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-2-15-3-4-19-9(5-15)6-16(7-10(17)18)8-11(12,13)14/h9H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 284.28 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).