2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid

C11H19F3N2O4 — CID 167481161

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCN(CC(NC(=O)OC(C)(C)C)C(=O)O)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O4/c1-10(2,3)20-9(19)15-7(8(17)18)5-16(4)6-11(12,13)14/h7H,5-6H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyFNUSJKRLEXBMRK-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.46
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 167481161) has the molecular formula C11H19F3N2O4 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID167481161
Molecular FormulaC11H19F3N2O4
Molecular Weight300.28 g/mol
Exact Mass300.13
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCN(CC(NC(=O)OC(C)(C)C)C(=O)O)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O4/c1-10(2,3)20-9(19)15-7(8(17)18)5-16(4)6-11(12,13)14/h7H,5-6H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyFNUSJKRLEXBMRK-UHFFFAOYSA-N
XLogP1.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic 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-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 167481161) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid is CN(CC(NC(=O)OC(C)(C)C)C(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is FNUSJKRLEXBMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O4/c1-10(2,3)20-9(19)15-7(8(17)18)5-16(4)6-11(12,13)14/h7H,5-6H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 300.28 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 167481161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).