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

C11H19F3N2O4 — CID 107481960

IUPAC3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O4/c1-2-3-8(6-9(18)19)15-10(20)16(4-5-17)7-11(12,13)14/h8,17H,2-7H2,1H3,(H,15,20)(H,18,19)
InChIKeyGVVHGUOVCQGYBU-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.20
Rot. Bonds8

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

3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid (PubChem CID 107481960) has the molecular formula C11H19F3N2O4 and a molecular weight of 300.28 g/mol. Its IUPAC name is 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
PubChem CID107481960
Molecular FormulaC11H19F3N2O4
Molecular Weight300.28 g/mol
Exact Mass300.13
IUPAC Name3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
SMILESCCCC(CC(=O)O)NC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O4/c1-2-3-8(6-9(18)19)15-10(20)16(4-5-17)7-11(12,13)14/h8,17H,2-7H2,1H3,(H,15,20)(H,18,19)
InChIKeyGVVHGUOVCQGYBU-UHFFFAOYSA-N
XLogP1.20
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.20
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]hexanoic acid?
The IUPAC name of 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid (CID 107481960) is 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid is CCCC(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]hexanoic acid?
The InChIKey is GVVHGUOVCQGYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O4/c1-2-3-8(6-9(18)19)15-10(20)16(4-5-17)7-11(12,13)14/h8,17H,2-7H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid?
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid has a molecular weight of 300.28 g/mol, XLogP of 1.20, 8 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]hexanoic acid is sourced from PubChem (CID 107481960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).