4-hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid

C10H17F3N2O4 — CID 55010002

IUPAC4-hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H17F3N2O4/c1-2-4-15(6-10(11,12)13)9(19)14-7(3-5-16)8(17)18/h7,16H,2-6H2,1H3,(H,14,19)(H,17,18)
InChIKeyJJLWOMDDWFEBNZ-UHFFFAOYSA-N
MW286.25 g/mol
LogP0.81
Rot. Bonds7

About 4-hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid

4-hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid (PubChem CID 55010002) has the molecular formula C10H17F3N2O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is 4-hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
PubChem CID55010002
Molecular FormulaC10H17F3N2O4
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Name4-hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H17F3N2O4/c1-2-4-15(6-10(11,12)13)9(19)14-7(3-5-16)8(17)18/h7,16H,2-6H2,1H3,(H,14,19)(H,17,18)
InChIKeyJJLWOMDDWFEBNZ-UHFFFAOYSA-N
XLogP0.81
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid (CID 55010002) is 4-hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid is CCCN(CC(F)(F)F)C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid?
The InChIKey is JJLWOMDDWFEBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4/c1-2-4-15(6-10(11,12)13)9(19)14-7(3-5-16)8(17)18/h7,16H,2-6H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 4-hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid?
4-hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid has a molecular weight of 286.25 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 55010002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).