3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid

C11H17F3N2O4 — CID 82325840

IUPAC3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESO=C(O)CCN(CCN1CCOCC1)C(=O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c12-11(13,14)10(19)16(2-1-9(17)18)4-3-15-5-7-20-8-6-15/h1-8H2,(H,17,18)
InChIKeyHTMAAEBQHVTQBO-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.18
Rot. Bonds6

About 3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid

3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid (PubChem CID 82325840) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
PubChem CID82325840
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESO=C(O)CCN(CCN1CCOCC1)C(=O)C(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c12-11(13,14)10(19)16(2-1-9(17)18)4-3-15-5-7-20-8-6-15/h1-8H2,(H,17,18)
InChIKeyHTMAAEBQHVTQBO-UHFFFAOYSA-N
XLogP0.18
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(2-morpholin-4-ylethyl)amino]propanoic acid
CID 60987134
3-[methyl(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82328722
3-[3-methyl-N-(2-morpholin-4-ylethyl)anilino]propanoic acid
CID 82320048
3-(2-morpholin-4-ylethylamino)propanoic acid
CID 28830354
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113117766
3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid
CID 82328609
2-(2-morpholin-4-ylethylamino)acetic acid
CID 28897547
3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82326743
N-(2-morpholin-4-ylethyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113117649
1,1,2,2,2-pentafluoro-N-methyl-N-(2-morpholin-4-ylethyl)ethanesulfonamide
CID 58855518
3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82330460
3-(2-morpholin-4-ylethylsulfinyl)propanoic acid
CID 60982979

Frequently Asked Questions

What is the IUPAC name of 3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The IUPAC name of 3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid (CID 82325840) is 3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The canonical SMILES for 3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid is O=C(O)CCN(CCN1CCOCC1)C(=O)C(F)(F)F.
What is the InChIKey of 3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The InChIKey is HTMAAEBQHVTQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c12-11(13,14)10(19)16(2-1-9(17)18)4-3-15-5-7-20-8-6-15/h1-8H2,(H,17,18).
What are the key properties of 3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid has a molecular weight of 298.26 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-morpholin-4-ylethyl-(2,2,2-trifluoroacetyl)amino]propanoic acid is sourced from PubChem (CID 82325840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).