3-(5-amino-2-methoxyphenyl)butanoic acid

C11H15NO3 — CID 84676824

IUPAC3-(5-amino-2-methoxyphenyl)butanoic acid
SMILESCOc1ccc(N)cc1C(C)CC(=O)O
InChIInChI=1S/C11H15NO3/c1-7(5-11(13)14)9-6-8(12)3-4-10(9)15-2/h3-4,6-7H,5,12H2,1-2H3,(H,13,14)
InChIKeyQWFOKHFHJZNZJW-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.86
Rot. Bonds4

About 3-(5-amino-2-methoxyphenyl)butanoic acid

3-(5-amino-2-methoxyphenyl)butanoic acid (PubChem CID 84676824) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(5-amino-2-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name3-(5-amino-2-methoxyphenyl)butanoic acid
PubChem CID84676824
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-(5-amino-2-methoxyphenyl)butanoic acid
SMILESCOc1ccc(N)cc1C(C)CC(=O)O
InChIInChI=1S/C11H15NO3/c1-7(5-11(13)14)9-6-8(12)3-4-10(9)15-2/h3-4,6-7H,5,12H2,1-2H3,(H,13,14)
InChIKeyQWFOKHFHJZNZJW-UHFFFAOYSA-N
XLogP1.86
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-aminopropan-2-yl)-4-methoxyaniline
CID 84657534
methyl 4-(5-amino-2-methoxyphenyl)-3,4-dihydroxybutanoate
CID 171895718
3-(5-amino-2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 118276903
3-(2-chloro-4,5-dimethoxyphenyl)butanoic acid
CID 83959363
3-amino-3-[2-methoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117350559
2-(4-amino-2-methoxyphenyl)propanoic acid
CID 141079881
3-(2,5-dichloro-4-methoxyphenyl)butanoic acid
CID 82303091
2-(5-amino-2-methoxyphenoxy)acetic acid
CID 59419305
3-(3-bromo-4-methoxyphenyl)butanoic acid
CID 82049975
methyl 3-(5-amino-2-methylphenyl)butanoate
CID 84675386
4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid
CID 116938153
4-[5-(carboxymethyl)-2-methoxyphenyl]-3,4-dihydroxybutanoic acid
CID 171878567

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methoxyphenyl)butanoic acid?
The IUPAC name of 3-(5-amino-2-methoxyphenyl)butanoic acid (CID 84676824) is 3-(5-amino-2-methoxyphenyl)butanoic acid.
What is the SMILES notation for 3-(5-amino-2-methoxyphenyl)butanoic acid?
The canonical SMILES for 3-(5-amino-2-methoxyphenyl)butanoic acid is COc1ccc(N)cc1C(C)CC(=O)O.
What is the InChIKey of 3-(5-amino-2-methoxyphenyl)butanoic acid?
The InChIKey is QWFOKHFHJZNZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(5-11(13)14)9-6-8(12)3-4-10(9)15-2/h3-4,6-7H,5,12H2,1-2H3,(H,13,14).
What are the key properties of 3-(5-amino-2-methoxyphenyl)butanoic acid?
3-(5-amino-2-methoxyphenyl)butanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methoxyphenyl)butanoic acid is sourced from PubChem (CID 84676824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).