2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid

C9H15F3N2O5 — CID 107482036

IUPAC2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)N(CCO)CC(F)(F)F)C(=O)O
InChIInChI=1S/C9H15F3N2O5/c1-8(19,6(16)17)4-13-7(18)14(2-3-15)5-9(10,11)12/h15,19H,2-5H2,1H3,(H,13,18)(H,16,17)
InChIKeyLGEVLXXAPTWEJG-UHFFFAOYSA-N
MW288.22 g/mol
LogP-0.61
Rot. Bonds6

About 2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid

2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 107482036) has the molecular formula C9H15F3N2O5 and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID107482036
Molecular FormulaC9H15F3N2O5
Molecular Weight288.22 g/mol
Exact Mass288.09
IUPAC Name2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)N(CCO)CC(F)(F)F)C(=O)O
InChIInChI=1S/C9H15F3N2O5/c1-8(19,6(16)17)4-13-7(18)14(2-3-15)5-9(10,11)12/h15,19H,2-5H2,1H3,(H,13,18)(H,16,17)
InChIKeyLGEVLXXAPTWEJG-UHFFFAOYSA-N
XLogP-0.61
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid with MolForge

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Related Compounds

2-Hydroxy-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 66164903
2-Hydroxy-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 66164904
2-Hydroxy-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid
CID 66166153
2-Hydroxy-3-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propanoic acid
CID 66166588
2-Hydroxy-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 66166743
2-Hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]propanoic acid
CID 66166963
2-Hydroxy-3-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
CID 66167554
3-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66168052
3-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 66168056
2-Hydroxy-2-methyl-3-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
CID 66172634
2-Hydroxy-2-methyl-3-[[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]amino]propanoic acid
CID 66174907
2-Hydroxy-2-methyl-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 66175513

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid (CID 107482036) is 2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid is CC(O)(CNC(=O)N(CCO)CC(F)(F)F)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is LGEVLXXAPTWEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O5/c1-8(19,6(16)17)4-13-7(18)14(2-3-15)5-9(10,11)12/h15,19H,2-5H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 288.22 g/mol, XLogP of -0.61, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 107482036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).