2-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid

C24H23F3N2O5 — CID 23132816

IUPAC2-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)c1ccc2ccccc2c1OCc1ccc(OCC(F)(F)F)nc1)C(=O)O
InChIInChI=1S/C24H23F3N2O5/c1-3-23(2,22(31)32)29-21(30)18-10-9-16-6-4-5-7-17(16)20(18)33-13-15-8-11-19(28-12-15)34-14-24(25,26)27/h4-12H,3,13-14H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyWQZMKXFBEQFKNZ-UHFFFAOYSA-N
MW476.45 g/mol
LogP4.74
Rot. Bonds9

About 2-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid

2-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid (PubChem CID 23132816) has the molecular formula C24H23F3N2O5 and a molecular weight of 476.45 g/mol. Its IUPAC name is 2-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
PubChem CID23132816
Molecular FormulaC24H23F3N2O5
Molecular Weight476.45 g/mol
Exact Mass476.16
IUPAC Name2-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)c1ccc2ccccc2c1OCc1ccc(OCC(F)(F)F)nc1)C(=O)O
InChIInChI=1S/C24H23F3N2O5/c1-3-23(2,22(31)32)29-21(30)18-10-9-16-6-4-5-7-17(16)20(18)33-13-15-8-11-19(28-12-15)34-14-24(25,26)27/h4-12H,3,13-14H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyWQZMKXFBEQFKNZ-UHFFFAOYSA-N
XLogP4.74
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic 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-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid?
The IUPAC name of 2-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid (CID 23132816) is 2-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid is CCC(C)(NC(=O)c1ccc2ccccc2c1OCc1ccc(OCC(F)(F)F)nc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid?
The InChIKey is WQZMKXFBEQFKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O5/c1-3-23(2,22(31)32)29-21(30)18-10-9-16-6-4-5-7-17(16)20(18)33-13-15-8-11-19(28-12-15)34-14-24(25,26)27/h4-12H,3,13-14H2,1-2H3,(H,29,30)(H,31,32).
What are the key properties of 2-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid?
2-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid has a molecular weight of 476.45 g/mol, XLogP of 4.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 23132816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).