4-amino-6-(4-octylphenyl)hexanoic acid

C20H33NO2 — CID 10125714

IUPAC4-amino-6-(4-octylphenyl)hexanoic acid
SMILESCCCCCCCCc1ccc(CCC(N)CCC(=O)O)cc1
InChIInChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(21)15-16-20(22)23/h9-12,19H,2-8,13-16,21H2,1H3,(H,22,23)
InChIKeyUUODWPRHRNIITI-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.71
Rot. Bonds13

About 4-amino-6-(4-octylphenyl)hexanoic acid

4-amino-6-(4-octylphenyl)hexanoic acid (PubChem CID 10125714) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 4-amino-6-(4-octylphenyl)hexanoic acid.

Molecular Properties

Compound Name4-amino-6-(4-octylphenyl)hexanoic acid
PubChem CID10125714
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name4-amino-6-(4-octylphenyl)hexanoic acid
SMILESCCCCCCCCc1ccc(CCC(N)CCC(=O)O)cc1
InChIInChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(21)15-16-20(22)23/h9-12,19H,2-8,13-16,21H2,1H3,(H,22,23)
InChIKeyUUODWPRHRNIITI-UHFFFAOYSA-N
XLogP4.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

L-Phenylalanine
CID 6140
D-Phenylalanine
CID 71567
Dl-Phenylalanine
CID 994
Phenibut
CID 14113
p-Fluorophenylalanine
CID 4654
Ibuprofen Lysine
CID 9841440
DL-alpha-Methylphenylalanine
CID 108055
(S)-2-amino-4-phenylbutanoic acid
CID 2724505
4-fluoro-L-phenylalanine
CID 716312
Homophenylalanine, DL-
CID 102530
(3S)-3-amino-3-phenylpropanoic acid
CID 686704
4-Iodo-D-phenylalanine
CID 2733279

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-octylphenyl)hexanoic acid?
The IUPAC name of 4-amino-6-(4-octylphenyl)hexanoic acid (CID 10125714) is 4-amino-6-(4-octylphenyl)hexanoic acid.
What is the SMILES notation for 4-amino-6-(4-octylphenyl)hexanoic acid?
The canonical SMILES for 4-amino-6-(4-octylphenyl)hexanoic acid is CCCCCCCCc1ccc(CCC(N)CCC(=O)O)cc1.
What is the InChIKey of 4-amino-6-(4-octylphenyl)hexanoic acid?
The InChIKey is UUODWPRHRNIITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(21)15-16-20(22)23/h9-12,19H,2-8,13-16,21H2,1H3,(H,22,23).
What are the key properties of 4-amino-6-(4-octylphenyl)hexanoic acid?
4-amino-6-(4-octylphenyl)hexanoic acid has a molecular weight of 319.49 g/mol, XLogP of 4.71, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-octylphenyl)hexanoic acid is sourced from PubChem (CID 10125714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).