4-amino-3-(4-ethylphenyl)hexanoic acid

C14H21NO2 — CID 66096909

IUPAC4-amino-3-(4-ethylphenyl)hexanoic acid
SMILESCCc1ccc(C(CC(=O)O)C(N)CC)cc1
InChIInChI=1S/C14H21NO2/c1-3-10-5-7-11(8-6-10)12(9-14(16)17)13(15)4-2/h5-8,12-13H,3-4,9,15H2,1-2H3,(H,16,17)
InChIKeyUXAMAQICYPTJOE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.54
Rot. Bonds6

About 4-amino-3-(4-ethylphenyl)hexanoic acid

4-amino-3-(4-ethylphenyl)hexanoic acid (PubChem CID 66096909) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-3-(4-ethylphenyl)hexanoic acid.

Molecular Properties

Compound Name4-amino-3-(4-ethylphenyl)hexanoic acid
PubChem CID66096909
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-amino-3-(4-ethylphenyl)hexanoic acid
SMILESCCc1ccc(C(CC(=O)O)C(N)CC)cc1
InChIInChI=1S/C14H21NO2/c1-3-10-5-7-11(8-6-10)12(9-14(16)17)13(15)4-2/h5-8,12-13H,3-4,9,15H2,1-2H3,(H,16,17)
InChIKeyUXAMAQICYPTJOE-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-(4-methylphenyl)hexanoic acid
CID 66097527
4-amino-3-(4-chlorophenyl)hexanoic acid
CID 66099214
4-amino-3-(4-propoxyphenyl)hexanoic acid
CID 66096290
3-amino-4-[1-(4-ethylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896081
3,4-diphenylhexanoic acid
CID 153127747
4-amino-3-(2-methoxyphenyl)hexanoic acid
CID 66097523
4-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]hexanoic acid
CID 115351345
(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919
4-amino-3-[2-(trifluoromethyl)phenyl]hexanoic acid
CID 66098371
ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
CID 93034516
3-amino-4-methyl-5-(4-propan-2-ylphenyl)pentanoic acid
CID 53417419
3-amino-3-(4-ethylphenyl)-2-(methylamino)propanoic acid
CID 116946846

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-ethylphenyl)hexanoic acid?
The IUPAC name of 4-amino-3-(4-ethylphenyl)hexanoic acid (CID 66096909) is 4-amino-3-(4-ethylphenyl)hexanoic acid.
What is the SMILES notation for 4-amino-3-(4-ethylphenyl)hexanoic acid?
The canonical SMILES for 4-amino-3-(4-ethylphenyl)hexanoic acid is CCc1ccc(C(CC(=O)O)C(N)CC)cc1.
What is the InChIKey of 4-amino-3-(4-ethylphenyl)hexanoic acid?
The InChIKey is UXAMAQICYPTJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-10-5-7-11(8-6-10)12(9-14(16)17)13(15)4-2/h5-8,12-13H,3-4,9,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-3-(4-ethylphenyl)hexanoic acid?
4-amino-3-(4-ethylphenyl)hexanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-ethylphenyl)hexanoic acid is sourced from PubChem (CID 66096909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).