2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid

C16H24FNO2 — CID 150762260

IUPAC2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid
SMILESCCC(CCCc1ccccc1F)CC(C)(N)C(=O)O
InChIInChI=1S/C16H24FNO2/c1-3-12(11-16(2,18)15(19)20)7-6-9-13-8-4-5-10-14(13)17/h4-5,8,10,12H,3,6-7,9,11,18H2,1-2H3,(H,19,20)
InChIKeyJYBUCXWLWHUPHA-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.37
Rot. Bonds8

About 2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid

2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid (PubChem CID 150762260) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid.

Molecular Properties

Compound Name2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid
PubChem CID150762260
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid
SMILESCCC(CCCc1ccccc1F)CC(C)(N)C(=O)O
InChIInChI=1S/C16H24FNO2/c1-3-12(11-16(2,18)15(19)20)7-6-9-13-8-4-5-10-14(13)17/h4-5,8,10,12H,3,6-7,9,11,18H2,1-2H3,(H,19,20)
InChIKeyJYBUCXWLWHUPHA-UHFFFAOYSA-N
XLogP3.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid
CID 152742384
2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid
CID 150176486
2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrahydroxyphenyl)heptanoic acid
CID 151028605
2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid
CID 151160778
2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid
CID 150561865
2-butan-2-yloxycarbonyl-5-(2-fluorophenyl)pentanoic acid
CID 70551445
(2S)-2-amino-4-ethyl-2-methylhexanoic acid;benzenesulfonic acid
CID 86608884
2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
CID 175042752
1-(4-chlorohexyl)-2-fluorobenzene
CID 64507075
2-[[2-(2-fluorophenyl)ethylamino]methyl]butanoic acid
CID 115250078
2-amino-4-(2-fluorophenyl)sulfanyl-2-methylpentanoic acid
CID 64709886
N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide
CID 100546563

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid?
The IUPAC name of 2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid (CID 150762260) is 2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid.
What is the SMILES notation for 2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid?
The canonical SMILES for 2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid is CCC(CCCc1ccccc1F)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid?
The InChIKey is JYBUCXWLWHUPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-3-12(11-16(2,18)15(19)20)7-6-9-13-8-4-5-10-14(13)17/h4-5,8,10,12H,3,6-7,9,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid?
2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid has a molecular weight of 281.37 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid is sourced from PubChem (CID 150762260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).