4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid

C8H12F3NO4 — CID 60951682

IUPAC4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H12F3NO4/c9-8(10,11)5-12(3-4-13)6(14)1-2-7(15)16/h13H,1-5H2,(H,15,16)
InChIKeyGFTUMMSJPDJNMQ-UHFFFAOYSA-N
MW243.18 g/mol
LogP0.23
Rot. Bonds6

About 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid

4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid (PubChem CID 60951682) has the molecular formula C8H12F3NO4 and a molecular weight of 243.18 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
PubChem CID60951682
Molecular FormulaC8H12F3NO4
Molecular Weight243.18 g/mol
Exact Mass243.07
IUPAC Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H12F3NO4/c9-8(10,11)5-12(3-4-13)6(14)1-2-7(15)16/h13H,1-5H2,(H,15,16)
InChIKeyGFTUMMSJPDJNMQ-UHFFFAOYSA-N
XLogP0.23
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid (CID 60951682) is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid is O=C(O)CCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid?
The InChIKey is GFTUMMSJPDJNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO4/c9-8(10,11)5-12(3-4-13)6(14)1-2-7(15)16/h13H,1-5H2,(H,15,16).
What are the key properties of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid?
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid has a molecular weight of 243.18 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 60951682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).