6-(4-aminophenoxy)hexanoic acid

C12H17NO3 — CID 3028577

IUPAC6-(4-aminophenoxy)hexanoic acid
SMILESNc1ccc(OCCCCCC(=O)O)cc1
InChIInChI=1S/C12H17NO3/c13-10-5-7-11(8-6-10)16-9-3-1-2-4-12(14)15/h5-8H,1-4,9,13H2,(H,14,15)
InChIKeyKVAQTQDJYKKEJW-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.29
Rot. Bonds7

About 6-(4-aminophenoxy)hexanoic acid

6-(4-aminophenoxy)hexanoic acid (PubChem CID 3028577) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 6-(4-aminophenoxy)hexanoic acid.

Molecular Properties

Compound Name6-(4-aminophenoxy)hexanoic acid
PubChem CID3028577
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name6-(4-aminophenoxy)hexanoic acid
SMILESNc1ccc(OCCCCCC(=O)O)cc1
InChIInChI=1S/C12H17NO3/c13-10-5-7-11(8-6-10)16-9-3-1-2-4-12(14)15/h5-8H,1-4,9,13H2,(H,14,15)
InChIKeyKVAQTQDJYKKEJW-UHFFFAOYSA-N
XLogP2.29
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-(4-aminophenoxy)hexanoic 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

4-(4-aminophenoxy)butanoic acid
CID 14451763
4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid
CID 69438444
9-phenoxynonanoic acid
CID 15887638
(4-aminophenyl) 6-(4-aminophenoxy)hexanoate
CID 86294322
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
4-(7-carboxyheptoxy)benzoic acid
CID 54128004
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
4-[2-(4-aminophenoxy)ethylsulfonyl]butanoic acid
CID 82183011
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
5-(4-iodophenoxy)pentanoic acid
CID 22915460
7-(4-formylphenoxy)heptanoic acid
CID 169448959
6-(4-cyanophenoxy)hexanoic acid
CID 22388922

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenoxy)hexanoic acid?
The IUPAC name of 6-(4-aminophenoxy)hexanoic acid (CID 3028577) is 6-(4-aminophenoxy)hexanoic acid.
What is the SMILES notation for 6-(4-aminophenoxy)hexanoic acid?
The canonical SMILES for 6-(4-aminophenoxy)hexanoic acid is Nc1ccc(OCCCCCC(=O)O)cc1.
What is the InChIKey of 6-(4-aminophenoxy)hexanoic acid?
The InChIKey is KVAQTQDJYKKEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c13-10-5-7-11(8-6-10)16-9-3-1-2-4-12(14)15/h5-8H,1-4,9,13H2,(H,14,15).
What are the key properties of 6-(4-aminophenoxy)hexanoic acid?
6-(4-aminophenoxy)hexanoic acid has a molecular weight of 223.27 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenoxy)hexanoic acid is sourced from PubChem (CID 3028577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).