6-amino-2-(4-ethoxyphenoxy)hexanoic acid

C14H21NO4 — CID 112745829

IUPAC6-amino-2-(4-ethoxyphenoxy)hexanoic acid
SMILESCCOc1ccc(OC(CCCCN)C(=O)O)cc1
InChIInChI=1S/C14H21NO4/c1-2-18-11-6-8-12(9-7-11)19-13(14(16)17)5-3-4-10-15/h6-9,13H,2-5,10,15H2,1H3,(H,16,17)
InChIKeyDKUQUYMWPJUTMQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.05
Rot. Bonds9

About 6-amino-2-(4-ethoxyphenoxy)hexanoic acid

6-amino-2-(4-ethoxyphenoxy)hexanoic acid (PubChem CID 112745829) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 6-amino-2-(4-ethoxyphenoxy)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(4-ethoxyphenoxy)hexanoic acid
PubChem CID112745829
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name6-amino-2-(4-ethoxyphenoxy)hexanoic acid
SMILESCCOc1ccc(OC(CCCCN)C(=O)O)cc1
InChIInChI=1S/C14H21NO4/c1-2-18-11-6-8-12(9-7-11)19-13(14(16)17)5-3-4-10-15/h6-9,13H,2-5,10,15H2,1H3,(H,16,17)
InChIKeyDKUQUYMWPJUTMQ-UHFFFAOYSA-N
XLogP2.05
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-chlorophenoxy)-2-(4-methylphenoxy)hexanoic acid
CID 19878772
(2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 100544211
2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241069
8-(4-chlorophenoxy)-2-(4-methylphenoxy)octanoic acid
CID 19878843
5-amino-2-naphthalen-2-yloxypentanoic acid
CID 112514781
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
4-(1-carboxydecoxy)benzoic acid
CID 23304106
(2R)-2-phenoxyhexanoic acid
CID 71401043
2-(4-ethoxyphenoxy)butanamide
CID 62901060
5-amino-2-(3-methylphenoxy)pentanoic acid
CID 112514325
(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine
CID 171200692
(2R)-2-(4-propan-2-ylphenoxy)hexanoic acid
CID 124564856

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4-ethoxyphenoxy)hexanoic acid?
The IUPAC name of 6-amino-2-(4-ethoxyphenoxy)hexanoic acid (CID 112745829) is 6-amino-2-(4-ethoxyphenoxy)hexanoic acid.
What is the SMILES notation for 6-amino-2-(4-ethoxyphenoxy)hexanoic acid?
The canonical SMILES for 6-amino-2-(4-ethoxyphenoxy)hexanoic acid is CCOc1ccc(OC(CCCCN)C(=O)O)cc1.
What is the InChIKey of 6-amino-2-(4-ethoxyphenoxy)hexanoic acid?
The InChIKey is DKUQUYMWPJUTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-18-11-6-8-12(9-7-11)19-13(14(16)17)5-3-4-10-15/h6-9,13H,2-5,10,15H2,1H3,(H,16,17).
What are the key properties of 6-amino-2-(4-ethoxyphenoxy)hexanoic acid?
6-amino-2-(4-ethoxyphenoxy)hexanoic acid has a molecular weight of 267.32 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-ethoxyphenoxy)hexanoic acid is sourced from PubChem (CID 112745829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).