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

C10H16F3NO4 — CID 61327292

IUPAC2-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
SMILESCC(C)CN(CC(F)(F)F)C(=O)COCC(=O)O
InChIInChI=1S/C10H16F3NO4/c1-7(2)3-14(6-10(11,12)13)8(15)4-18-5-9(16)17/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyNVXGMVWFXAZABY-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.13
Rot. Bonds7

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

2-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61327292) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61327292
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name2-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
SMILESCC(C)CN(CC(F)(F)F)C(=O)COCC(=O)O
InChIInChI=1S/C10H16F3NO4/c1-7(2)3-14(6-10(11,12)13)8(15)4-18-5-9(16)17/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyNVXGMVWFXAZABY-UHFFFAOYSA-N
XLogP1.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid (CID 61327292) is 2-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid is CC(C)CN(CC(F)(F)F)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is NVXGMVWFXAZABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-7(2)3-14(6-10(11,12)13)8(15)4-18-5-9(16)17/h7H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 271.23 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61327292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).