2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid

C23H21F3N2O4 — CID 58370198

IUPAC2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cn1)C(=O)O
InChIInChI=1S/C23H21F3N2O4/c1-3-22(2,21(30)31)28-20(29)18-11-8-14-6-4-5-7-17(14)19(18)32-13-16-10-9-15(12-27-16)23(24,25)26/h4-12H,3,13H2,1-2H3,(H,28,29)(H,30,31)
InChIKeySEOPNSSQXUNBEV-UHFFFAOYSA-N
MW446.43 g/mol
LogP4.82
Rot. Bonds7

About 2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid

2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid (PubChem CID 58370198) has the molecular formula C23H21F3N2O4 and a molecular weight of 446.43 g/mol. Its IUPAC name is 2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
PubChem CID58370198
Molecular FormulaC23H21F3N2O4
Molecular Weight446.43 g/mol
Exact Mass446.15
IUPAC Name2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cn1)C(=O)O
InChIInChI=1S/C23H21F3N2O4/c1-3-22(2,21(30)31)28-20(29)18-11-8-14-6-4-5-7-17(14)19(18)32-13-16-10-9-15(12-27-16)23(24,25)26/h4-12H,3,13H2,1-2H3,(H,28,29)(H,30,31)
InChIKeySEOPNSSQXUNBEV-UHFFFAOYSA-N
XLogP4.82
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylbutanoic acid
CID 23132883
2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid
CID 79792523
2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid
CID 174546235
2-[[1-[[2,3-difluoro-4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 23132855
(2S)-3-hydroxy-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 168751650
2-methyl-2-[[1-[(4-methylphenyl)methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 11675248
(2S,3S)-3-methoxy-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
CID 156751362
1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone
CID 143253149
2-methyl-2-[[3-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophene-2-carbonyl]amino]butanoic acid
CID 23132819
2-[[4-fluoro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 11546509
2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 122107400
N-[(1E)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]-1-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide
CID 152747595

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid?
The IUPAC name of 2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid (CID 58370198) is 2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid is CCC(C)(NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cn1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid?
The InChIKey is SEOPNSSQXUNBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O4/c1-3-22(2,21(30)31)28-20(29)18-11-8-14-6-4-5-7-17(14)19(18)32-13-16-10-9-15(12-27-16)23(24,25)26/h4-12H,3,13H2,1-2H3,(H,28,29)(H,30,31).
What are the key properties of 2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid?
2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid has a molecular weight of 446.43 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 58370198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).