2-[(2-ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

C11H19F3N2O4 — CID 114943618

IUPAC2-[(2-ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOC(C)(C)CNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O4/c1-4-20-10(2,3)6-15-9(19)16(5-8(17)18)7-11(12,13)14/h4-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyLCTPCNFDWWZQSX-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.46
Rot. Bonds7

About 2-[(2-ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 114943618) has the molecular formula C11H19F3N2O4 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID114943618
Molecular FormulaC11H19F3N2O4
Molecular Weight300.28 g/mol
Exact Mass300.13
IUPAC Name2-[(2-ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOC(C)(C)CNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O4/c1-4-20-10(2,3)6-15-9(19)16(5-8(17)18)7-11(12,13)14/h4-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyLCTPCNFDWWZQSX-UHFFFAOYSA-N
XLogP1.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 114943618) is 2-[(2-ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is CCOC(C)(C)CNC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(2-ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is LCTPCNFDWWZQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O4/c1-4-20-10(2,3)6-15-9(19)16(5-8(17)18)7-11(12,13)14/h4-7H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2-ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 300.28 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-methylpropyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 114943618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).