2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

C11H19F3N2O3 — CID 55009900

IUPAC2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N(CC)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-4-8(3)16(6-9(17)18)10(19)15(5-2)7-11(12,13)14/h8H,4-7H2,1-3H3,(H,17,18)
InChIKeyHZOWEGNWJFGYJZ-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.18
Rot. Bonds6

About 2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (PubChem CID 55009900) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
PubChem CID55009900
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N(CC)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-4-8(3)16(6-9(17)18)10(19)15(5-2)7-11(12,13)14/h8H,4-7H2,1-3H3,(H,17,18)
InChIKeyHZOWEGNWJFGYJZ-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (CID 55009900) is 2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)N(CC)CC(F)(F)F.
What is the InChIKey of 2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The InChIKey is HZOWEGNWJFGYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-4-8(3)16(6-9(17)18)10(19)15(5-2)7-11(12,13)14/h8H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid has a molecular weight of 284.28 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 55009900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).