4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid

C15H24F3NO4 — CID 120532206

IUPAC4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H24F3NO4/c1-14(9-23-2,8-13(21)22)19-12(20)7-10-3-5-11(6-4-10)15(16,17)18/h10-11H,3-9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyLXFGOITYDPAQDA-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.74
Rot. Bonds7

About 4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid

4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid (PubChem CID 120532206) has the molecular formula C15H24F3NO4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid
PubChem CID120532206
Molecular FormulaC15H24F3NO4
Molecular Weight339.35 g/mol
Exact Mass339.17
IUPAC Name4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H24F3NO4/c1-14(9-23-2,8-13(21)22)19-12(20)7-10-3-5-11(6-4-10)15(16,17)18/h10-11H,3-9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyLXFGOITYDPAQDA-UHFFFAOYSA-N
XLogP2.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid with MolForge

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Related Compounds

2-(4-aminocyclohexyl)-N-(1-methoxy-2-methylpropan-2-yl)acetamide
CID 113470824
3-(butanoylamino)-4-methoxy-3-methylbutanoic acid
CID 115910326
3-[(4,4-difluorocyclohexanecarbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532395
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-4-methoxy-3-methylbutanoate;hydrochloride
CID 119819764
3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid
CID 115909826
N-(1-methoxy-2-methylpropan-2-yl)-2-piperidin-4-ylacetamide
CID 115738831
7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid
CID 120524020
(3R)-4-methoxy-3-methyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
CID 124686163
(3S)-3-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-4-methoxy-3-methylbutanoic acid
CID 124684943
2-(azetidin-3-yl)-N-(1-methoxy-2-methylpropan-2-yl)acetamide
CID 115738814
3-(3-cyclopropylpropanoylamino)-3-methylpentanoic acid
CID 115730882
4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120524479

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid (CID 120532206) is 4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid is COCC(C)(CC(=O)O)NC(=O)CC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid?
The InChIKey is LXFGOITYDPAQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO4/c1-14(9-23-2,8-13(21)22)19-12(20)7-10-3-5-11(6-4-10)15(16,17)18/h10-11H,3-9H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid?
4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid has a molecular weight of 339.35 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-3-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]butanoic acid is sourced from PubChem (CID 120532206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).