4-amino-3-ethyl-3-phenylhexanoic acid

C14H21NO2 — CID 66096689

IUPAC4-amino-3-ethyl-3-phenylhexanoic acid
SMILESCCC(N)C(CC)(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-12(15)14(4-2,10-13(16)17)11-8-6-5-7-9-11/h5-9,12H,3-4,10,15H2,1-2H3,(H,16,17)
InChIKeyXSHNACYNOGMNGA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.55
Rot. Bonds6

About 4-amino-3-ethyl-3-phenylhexanoic acid

4-amino-3-ethyl-3-phenylhexanoic acid (PubChem CID 66096689) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-3-ethyl-3-phenylhexanoic acid.

Molecular Properties

Compound Name4-amino-3-ethyl-3-phenylhexanoic acid
PubChem CID66096689
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-amino-3-ethyl-3-phenylhexanoic acid
SMILESCCC(N)C(CC)(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-12(15)14(4-2,10-13(16)17)11-8-6-5-7-9-11/h5-9,12H,3-4,10,15H2,1-2H3,(H,16,17)
InChIKeyXSHNACYNOGMNGA-UHFFFAOYSA-N
XLogP2.55
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-phenyl-3-propylhexanoic acid
CID 66096089
4-amino-3-ethyl-3-(2-fluorophenyl)hexanoic acid
CID 112680317
4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid
CID 66097321
methyl 4-amino-3-phenyl-3-propylhexanoate
CID 66097736
4-amino-3-(4-chlorophenyl)-3-ethylpentanoic acid
CID 66097085
4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)hexanoic acid
CID 112586778
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
3-ethyl-5-methyl-3-phenylheptan-4-amine
CID 79446709
4-amino-3-methyl-3-[3-(trifluoromethyl)phenyl]hexanoic acid
CID 66096075
3-ethoxycarbonyl-3-phenylpentanoic acid
CID 175261723
5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
CID 64564957
3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine
CID 65477714

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-3-phenylhexanoic acid?
The IUPAC name of 4-amino-3-ethyl-3-phenylhexanoic acid (CID 66096689) is 4-amino-3-ethyl-3-phenylhexanoic acid.
What is the SMILES notation for 4-amino-3-ethyl-3-phenylhexanoic acid?
The canonical SMILES for 4-amino-3-ethyl-3-phenylhexanoic acid is CCC(N)C(CC)(CC(=O)O)c1ccccc1.
What is the InChIKey of 4-amino-3-ethyl-3-phenylhexanoic acid?
The InChIKey is XSHNACYNOGMNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-12(15)14(4-2,10-13(16)17)11-8-6-5-7-9-11/h5-9,12H,3-4,10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-3-ethyl-3-phenylhexanoic acid?
4-amino-3-ethyl-3-phenylhexanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-3-phenylhexanoic acid is sourced from PubChem (CID 66096689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).