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

C9H16F3NO3 — CID 115000283

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCCN(CC(F)(F)F)C(C)(COC)C(=O)O
InChIInChI=1S/C9H16F3NO3/c1-4-13(5-9(10,11)12)8(2,6-16-3)7(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyBNPQDWORTSDHOS-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.36
Rot. Bonds6

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

2-[ethyl(2,2,2-trifluoroethyl)amino]-3-methoxy-2-methylpropanoic acid (PubChem CID 115000283) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]-3-methoxy-2-methylpropanoic acid
PubChem CID115000283
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCCN(CC(F)(F)F)C(C)(COC)C(=O)O
InChIInChI=1S/C9H16F3NO3/c1-4-13(5-9(10,11)12)8(2,6-16-3)7(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyBNPQDWORTSDHOS-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-3-methoxy-2-methylpropanoic acid (CID 115000283) is 2-[ethyl(2,2,2-trifluoroethyl)amino]-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]-3-methoxy-2-methylpropanoic acid is CCN(CC(F)(F)F)C(C)(COC)C(=O)O.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]-3-methoxy-2-methylpropanoic acid?
The InChIKey is BNPQDWORTSDHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-4-13(5-9(10,11)12)8(2,6-16-3)7(14)15/h4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]-3-methoxy-2-methylpropanoic acid?
2-[ethyl(2,2,2-trifluoroethyl)amino]-3-methoxy-2-methylpropanoic acid has a molecular weight of 243.22 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 115000283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).