2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid

C17H24F3NO3 — CID 152742384

IUPAC2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid
SMILESCCC(CCCc1ccccc1OC(F)(F)F)CC(C)(N)C(=O)O
InChIInChI=1S/C17H24F3NO3/c1-3-12(11-16(2,21)15(22)23)7-6-9-13-8-4-5-10-14(13)24-17(18,19)20/h4-5,8,10,12H,3,6-7,9,11,21H2,1-2H3,(H,22,23)
InChIKeyZZWNALRPNNASPW-UHFFFAOYSA-N
MW347.38 g/mol
LogP4.13
Rot. Bonds9

About 2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid

2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid (PubChem CID 152742384) has the molecular formula C17H24F3NO3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid.

Molecular Properties

Compound Name2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid
PubChem CID152742384
Molecular FormulaC17H24F3NO3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid
SMILESCCC(CCCc1ccccc1OC(F)(F)F)CC(C)(N)C(=O)O
InChIInChI=1S/C17H24F3NO3/c1-3-12(11-16(2,21)15(22)23)7-6-9-13-8-4-5-10-14(13)24-17(18,19)20/h4-5,8,10,12H,3,6-7,9,11,21H2,1-2H3,(H,22,23)
InChIKeyZZWNALRPNNASPW-UHFFFAOYSA-N
XLogP4.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid
CID 150762260
2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid
CID 151193828
2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid
CID 150176486
methyl 2-amino-4-methyl-6-[2-(trifluoromethoxy)phenyl]hexanoate
CID 174497804
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 156757814
2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 79804940
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
(2S)-2-amino-4-ethyl-2-methylhexanoic acid;benzenesulfonic acid
CID 86608884
2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid
CID 151160778
2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid
CID 65061764
2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
CID 175042752

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid?
The IUPAC name of 2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid (CID 152742384) is 2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid.
What is the SMILES notation for 2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid?
The canonical SMILES for 2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid is CCC(CCCc1ccccc1OC(F)(F)F)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid?
The InChIKey is ZZWNALRPNNASPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO3/c1-3-12(11-16(2,21)15(22)23)7-6-9-13-8-4-5-10-14(13)24-17(18,19)20/h4-5,8,10,12H,3,6-7,9,11,21H2,1-2H3,(H,22,23).
What are the key properties of 2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid?
2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid has a molecular weight of 347.38 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid is sourced from PubChem (CID 152742384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).