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

C10H17F3N2O3 — CID 55009996

IUPAC3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCN(CC(F)(F)F)C(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C10H17F3N2O3/c1-4-15(6-10(11,12)13)9(18)14(3)5-7(2)8(16)17/h7H,4-6H2,1-3H3,(H,16,17)
InChIKeyCQGNCJIPNBJZDS-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.64
Rot. Bonds5

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

3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 55009996) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
PubChem CID55009996
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCN(CC(F)(F)F)C(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C10H17F3N2O3/c1-4-15(6-10(11,12)13)9(18)14(3)5-7(2)8(16)17/h7H,4-6H2,1-3H3,(H,16,17)
InChIKeyCQGNCJIPNBJZDS-UHFFFAOYSA-N
XLogP1.64
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]-2-methylpropanoic acid (CID 55009996) is 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]-2-methylpropanoic acid is CCN(CC(F)(F)F)C(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is CQGNCJIPNBJZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-4-15(6-10(11,12)13)9(18)14(3)5-7(2)8(16)17/h7H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 270.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55009996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).