2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid

C8H11F3N2O4 — CID 91576156

IUPAC2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid
SMILESO=C(O)N1CCOC(CNC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O4/c9-8(10,11)6(14)12-3-5-4-13(7(15)16)1-2-17-5/h5H,1-4H2,(H,12,14)(H,15,16)
InChIKeyKGOWXUZJIAGKPI-UHFFFAOYSA-N
MW256.18 g/mol
LogP0.04
Rot. Bonds2

About 2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid

2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid (PubChem CID 91576156) has the molecular formula C8H11F3N2O4 and a molecular weight of 256.18 g/mol. Its IUPAC name is 2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid
PubChem CID91576156
Molecular FormulaC8H11F3N2O4
Molecular Weight256.18 g/mol
Exact Mass256.07
IUPAC Name2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid
SMILESO=C(O)N1CCOC(CNC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O4/c9-8(10,11)6(14)12-3-5-4-13(7(15)16)1-2-17-5/h5H,1-4H2,(H,12,14)(H,15,16)
InChIKeyKGOWXUZJIAGKPI-UHFFFAOYSA-N
XLogP0.04
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-Trifluoro-N-(3-morpholin-4-yl-propyl)-acetamide
CID 3254694
2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide
CID 11550261
2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride
CID 14839574
3-Amino-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid
CID 66994528
[4-(1,3-Difluoropropan-2-yl)morpholin-2-yl]methylcarbamic acid
CID 67501102
4-(N-methyl-beta-alanyl)morpholine trifluoroacetic acid salt
CID 67765016
3-Morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid
CID 68771780
2,2,2-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 78917066
2,2,2-Trifluoro-1-[2-(methylaminomethyl)morpholin-4-yl]ethanone
CID 81688304
1-[2-(Aminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone
CID 82508420
3-amino-N-(2-morpholin-4-ylethyl)propanamide;2,2,2-trifluoroacetic acid
CID 87723328
2-amino-N-(3-morpholin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid
CID 87723469

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid?
The IUPAC name of 2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid (CID 91576156) is 2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid.
What is the SMILES notation for 2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid?
The canonical SMILES for 2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid is O=C(O)N1CCOC(CNC(=O)C(F)(F)F)C1.
What is the InChIKey of 2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid?
The InChIKey is KGOWXUZJIAGKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O4/c9-8(10,11)6(14)12-3-5-4-13(7(15)16)1-2-17-5/h5H,1-4H2,(H,12,14)(H,15,16).
What are the key properties of 2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid?
2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid has a molecular weight of 256.18 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2,2-trifluoroacetyl)amino]methyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 91576156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).