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

C9H15F3N2O3 — CID 62668668

IUPAC3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(F)(F)F)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C9H15F3N2O3/c1-3-14(5-9(10,11)12)8(17)13-4-6(2)7(15)16/h6H,3-5H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyYWGGVASXJIFCFN-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.30
Rot. Bonds5

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

3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62668668) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62668668
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(F)(F)F)C(=O)NCC(C)C(=O)O
InChIInChI=1S/C9H15F3N2O3/c1-3-14(5-9(10,11)12)8(17)13-4-6(2)7(15)16/h6H,3-5H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyYWGGVASXJIFCFN-UHFFFAOYSA-N
XLogP1.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic 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 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid (CID 62668668) is 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid is CCN(CC(F)(F)F)C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is YWGGVASXJIFCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-3-14(5-9(10,11)12)8(17)13-4-6(2)7(15)16/h6H,3-5H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid?
3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 256.22 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62668668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).