3-(5-amino-2-methoxyphenoxy)propanoic acid

C10H13NO4 — CID 63948669

IUPAC3-(5-amino-2-methoxyphenoxy)propanoic acid
SMILESCOc1ccc(N)cc1OCCC(=O)O
InChIInChI=1S/C10H13NO4/c1-14-8-3-2-7(11)6-9(8)15-5-4-10(12)13/h2-3,6H,4-5,11H2,1H3,(H,12,13)
InChIKeyRMHPYQLTOXGQCM-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.13
Rot. Bonds5

About 3-(5-amino-2-methoxyphenoxy)propanoic acid

3-(5-amino-2-methoxyphenoxy)propanoic acid (PubChem CID 63948669) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(5-amino-2-methoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(5-amino-2-methoxyphenoxy)propanoic acid
PubChem CID63948669
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name3-(5-amino-2-methoxyphenoxy)propanoic acid
SMILESCOc1ccc(N)cc1OCCC(=O)O
InChIInChI=1S/C10H13NO4/c1-14-8-3-2-7(11)6-9(8)15-5-4-10(12)13/h2-3,6H,4-5,11H2,1H3,(H,12,13)
InChIKeyRMHPYQLTOXGQCM-UHFFFAOYSA-N
XLogP1.13
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(5-amino-2-methoxyphenoxy)propanoate
CID 63948668
2-(5-amino-2-methoxyphenoxy)acetic acid
CID 59419305
3-[4,5-diamino-2-(2-carboxyethoxy)phenoxy]propanoic acid
CID 147252154
2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid
CID 115460494
4-methoxy-3-(3-phenoxypropoxy)aniline
CID 62936938
3-(2-ethylsulfonylethoxy)-4-methoxyaniline
CID 43807344
3-(2-amino-5-methoxyphenoxy)propanoic acid
CID 102702334
methyl 3-(5-amino-2-methoxyphenoxy)-2,2-dimethylpropanoate
CID 79622855
4-(5-amino-2,3-dimethoxyphenoxy)butanoic acid;hydrochloride
CID 159677080
3-(4-amino-2-methoxyphenoxy)propan-1-ol
CID 21422985
4-[(5-amino-2-methoxyphenoxy)methyl]benzamide
CID 24711094
3-[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]propanoic acid
CID 22681315

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methoxyphenoxy)propanoic acid?
The IUPAC name of 3-(5-amino-2-methoxyphenoxy)propanoic acid (CID 63948669) is 3-(5-amino-2-methoxyphenoxy)propanoic acid.
What is the SMILES notation for 3-(5-amino-2-methoxyphenoxy)propanoic acid?
The canonical SMILES for 3-(5-amino-2-methoxyphenoxy)propanoic acid is COc1ccc(N)cc1OCCC(=O)O.
What is the InChIKey of 3-(5-amino-2-methoxyphenoxy)propanoic acid?
The InChIKey is RMHPYQLTOXGQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-14-8-3-2-7(11)6-9(8)15-5-4-10(12)13/h2-3,6H,4-5,11H2,1H3,(H,12,13).
What are the key properties of 3-(5-amino-2-methoxyphenoxy)propanoic acid?
3-(5-amino-2-methoxyphenoxy)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methoxyphenoxy)propanoic acid is sourced from PubChem (CID 63948669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).