3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid

C11H17F3N2O4 — CID 79789681

IUPAC3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid
SMILESCC(NC(C)(C(=O)O)C(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C11H17F3N2O4/c1-7(8(17)16-3-5-20-6-4-16)15-10(2,9(18)19)11(12,13)14/h7,15H,3-6H2,1-2H3,(H,18,19)
InChIKeyARHVNYMJQZMEMP-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.23
Rot. Bonds4

About 3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid (PubChem CID 79789681) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid
PubChem CID79789681
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid
SMILESCC(NC(C)(C(=O)O)C(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C11H17F3N2O4/c1-7(8(17)16-3-5-20-6-4-16)15-10(2,9(18)19)11(12,13)14/h7,15H,3-6H2,1-2H3,(H,18,19)
InChIKeyARHVNYMJQZMEMP-UHFFFAOYSA-N
XLogP0.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid with MolForge

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Related Compounds

2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114174239
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
3,3,3-trifluoro-2-methyl-2-(1,4-oxazepane-4-carbonylamino)propanoic acid
CID 79801375
2-hydroxy-2-methyl-3-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid
CID 104645019
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 114154119
1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea
CID 115620431
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 105058043
1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one
CID 82722110
2-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide;hydrochloride
CID 119308587
1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one
CID 43084708
3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 113408370
2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 107446064

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid (CID 79789681) is 3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid is CC(NC(C)(C(=O)O)C(F)(F)F)C(=O)N1CCOCC1.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid?
The InChIKey is ARHVNYMJQZMEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-7(8(17)16-3-5-20-6-4-16)15-10(2,9(18)19)11(12,13)14/h7,15H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid has a molecular weight of 298.26 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid is sourced from PubChem (CID 79789681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).