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

C10H17F3N2O4 — CID 107482004

IUPAC3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O4/c1-2-7(5-8(17)18)14-9(19)15(3-4-16)6-10(11,12)13/h7,16H,2-6H2,1H3,(H,14,19)(H,17,18)
InChIKeyYYMKSEVXDSNZFO-UHFFFAOYSA-N
MW286.25 g/mol
LogP0.81
Rot. Bonds7

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

3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid (PubChem CID 107482004) has the molecular formula C10H17F3N2O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid
PubChem CID107482004
Molecular FormulaC10H17F3N2O4
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Name3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O4/c1-2-7(5-8(17)18)14-9(19)15(3-4-16)6-10(11,12)13/h7,16H,2-6H2,1H3,(H,14,19)(H,17,18)
InChIKeyYYMKSEVXDSNZFO-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 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid (CID 107482004) is 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid is CCC(CC(=O)O)NC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is YYMKSEVXDSNZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4/c1-2-7(5-8(17)18)14-9(19)15(3-4-16)6-10(11,12)13/h7,16H,2-6H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid?
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic 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 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107482004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).