2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid

C16H21F4NO2 — CID 150176486

IUPAC2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid
SMILESCCC(CCCc1cc(F)c(F)c(F)c1F)CC(C)(N)C(=O)O
InChIInChI=1S/C16H21F4NO2/c1-3-9(8-16(2,21)15(22)23)5-4-6-10-7-11(17)13(19)14(20)12(10)18/h7,9H,3-6,8,21H2,1-2H3,(H,22,23)
InChIKeyFKNGWBADWJCLAA-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.78
Rot. Bonds8

About 2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid

2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid (PubChem CID 150176486) has the molecular formula C16H21F4NO2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid.

Molecular Properties

Compound Name2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid
PubChem CID150176486
Molecular FormulaC16H21F4NO2
Molecular Weight335.34 g/mol
Exact Mass335.15
IUPAC Name2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid
SMILESCCC(CCCc1cc(F)c(F)c(F)c1F)CC(C)(N)C(=O)O
InChIInChI=1S/C16H21F4NO2/c1-3-9(8-16(2,21)15(22)23)5-4-6-10-7-11(17)13(19)14(20)12(10)18/h7,9H,3-6,8,21H2,1-2H3,(H,22,23)
InChIKeyFKNGWBADWJCLAA-UHFFFAOYSA-N
XLogP3.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid
CID 150762260
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-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid
CID 152742384
2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
CID 175042752
2-(aminomethyl)-4-methyl-6-(2,3,4,5-tetrafluorophenyl)hexanoic acid
CID 87760829
2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid
CID 150251165
4-(2,3,4,5-tetrafluorophenyl)butan-1-amine
CID 87970445
2-amino-4-hydroxy-2-methylhexanoic acid
CID 87771326
1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene
CID 91063618
2-(2,3,4,5-tetrafluorophenyl)acetic acid
CID 18625682

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid?
The IUPAC name of 2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid (CID 150176486) is 2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid.
What is the SMILES notation for 2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid?
The canonical SMILES for 2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid is CCC(CCCc1cc(F)c(F)c(F)c1F)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid?
The InChIKey is FKNGWBADWJCLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4NO2/c1-3-9(8-16(2,21)15(22)23)5-4-6-10-7-11(17)13(19)14(20)12(10)18/h7,9H,3-6,8,21H2,1-2H3,(H,22,23).
What are the key properties of 2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid?
2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid has a molecular weight of 335.34 g/mol, XLogP of 3.78, 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-2-methyl-7-(2,3,4,5-tetrafluorophenyl)heptanoic acid is sourced from PubChem (CID 150176486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).