4-(4-aminophenoxy)butanoic acid

C10H13NO3 — CID 14451763

IUPAC4-(4-aminophenoxy)butanoic acid
SMILESNc1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C10H13NO3/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7,11H2,(H,12,13)
InChIKeyZJXDBOFLMIGAAM-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.51
Rot. Bonds5

About 4-(4-aminophenoxy)butanoic acid

4-(4-aminophenoxy)butanoic acid (PubChem CID 14451763) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(4-aminophenoxy)butanoic acid.

Molecular Properties

Compound Name4-(4-aminophenoxy)butanoic acid
PubChem CID14451763
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-(4-aminophenoxy)butanoic acid
SMILESNc1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C10H13NO3/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7,11H2,(H,12,13)
InChIKeyZJXDBOFLMIGAAM-UHFFFAOYSA-N
XLogP1.51
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.51
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'}

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Related Compounds

6-(4-aminophenoxy)hexanoic acid
CID 3028577
4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid
CID 69438444
4-[2-(4-aminophenoxy)ethylsulfonyl]butanoic acid
CID 82183011
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
4-(4-sulfamoylphenoxy)butanoic acid
CID 43164527
4-[4-(4-methylphenyl)phenoxy]butanoic acid
CID 22680200
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
5-(4-iodophenoxy)pentanoic acid
CID 22915460
(4-aminophenyl) 6-(4-aminophenoxy)hexanoate
CID 86294322
9-phenoxynonanoic acid
CID 15887638

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)butanoic acid?
The IUPAC name of 4-(4-aminophenoxy)butanoic acid (CID 14451763) is 4-(4-aminophenoxy)butanoic acid.
What is the SMILES notation for 4-(4-aminophenoxy)butanoic acid?
The canonical SMILES for 4-(4-aminophenoxy)butanoic acid is Nc1ccc(OCCCC(=O)O)cc1.
What is the InChIKey of 4-(4-aminophenoxy)butanoic acid?
The InChIKey is ZJXDBOFLMIGAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7,11H2,(H,12,13).
What are the key properties of 4-(4-aminophenoxy)butanoic acid?
4-(4-aminophenoxy)butanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)butanoic acid is sourced from PubChem (CID 14451763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).