4-(2-amino-4-methoxyphenoxy)butanoic acid

C11H15NO4 — CID 123796019

IUPAC4-(2-amino-4-methoxyphenoxy)butanoic acid
SMILESCOc1ccc(OCCCC(=O)O)c(N)c1
InChIInChI=1S/C11H15NO4/c1-15-8-4-5-10(9(12)7-8)16-6-2-3-11(13)14/h4-5,7H,2-3,6,12H2,1H3,(H,13,14)
InChIKeyUGRCZZQCLYFHGQ-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.52
Rot. Bonds6

About 4-(2-amino-4-methoxyphenoxy)butanoic acid

4-(2-amino-4-methoxyphenoxy)butanoic acid (PubChem CID 123796019) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-(2-amino-4-methoxyphenoxy)butanoic acid.

Molecular Properties

Compound Name4-(2-amino-4-methoxyphenoxy)butanoic acid
PubChem CID123796019
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-(2-amino-4-methoxyphenoxy)butanoic acid
SMILESCOc1ccc(OCCCC(=O)O)c(N)c1
InChIInChI=1S/C11H15NO4/c1-15-8-4-5-10(9(12)7-8)16-6-2-3-11(13)14/h4-5,7H,2-3,6,12H2,1H3,(H,13,14)
InChIKeyUGRCZZQCLYFHGQ-UHFFFAOYSA-N
XLogP1.52
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-5-methoxyphenoxy)propanoic acid
CID 102702334
5-methoxy-2-nonoxyaniline
CID 43128995
4-(5-methoxy-2-nitrophenoxy)butanoic acid
CID 102702553
5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline
CID 39427298
4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79360631
3-(3-amino-4-butoxyphenyl)propanoic acid
CID 82152584
4-[2-[[amino(ethyl)amino]methyl]-5-methoxyphenoxy]butanoic acid
CID 166726819
4-(3,5-dimethoxyphenoxy)butanoic acid
CID 43351586
4-(3-fluoro-4-methoxyphenoxy)butanoic acid
CID 14661621
2-(2-amino-4-methoxyphenoxy)-N,N-dimethylacetamide
CID 16771171
3-(2-tert-butyl-4-methoxyphenoxy)propanoic acid
CID 16771116
4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
CID 80504243

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methoxyphenoxy)butanoic acid?
The IUPAC name of 4-(2-amino-4-methoxyphenoxy)butanoic acid (CID 123796019) is 4-(2-amino-4-methoxyphenoxy)butanoic acid.
What is the SMILES notation for 4-(2-amino-4-methoxyphenoxy)butanoic acid?
The canonical SMILES for 4-(2-amino-4-methoxyphenoxy)butanoic acid is COc1ccc(OCCCC(=O)O)c(N)c1.
What is the InChIKey of 4-(2-amino-4-methoxyphenoxy)butanoic acid?
The InChIKey is UGRCZZQCLYFHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-8-4-5-10(9(12)7-8)16-6-2-3-11(13)14/h4-5,7H,2-3,6,12H2,1H3,(H,13,14).
What are the key properties of 4-(2-amino-4-methoxyphenoxy)butanoic acid?
4-(2-amino-4-methoxyphenoxy)butanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methoxyphenoxy)butanoic acid is sourced from PubChem (CID 123796019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).