2-(3-aminophenyl)-2-methoxypropanoic acid

C10H13NO3 — CID 91204771

IUPAC2-(3-aminophenyl)-2-methoxypropanoic acid
SMILESCOC(C)(C(=O)O)c1cccc(N)c1
InChIInChI=1S/C10H13NO3/c1-10(14-2,9(12)13)7-4-3-5-8(11)6-7/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyXZNZTIOSLTZRBY-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.22
Rot. Bonds3

About 2-(3-aminophenyl)-2-methoxypropanoic acid

2-(3-aminophenyl)-2-methoxypropanoic acid (PubChem CID 91204771) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(3-aminophenyl)-2-methoxypropanoic acid.

Molecular Properties

Compound Name2-(3-aminophenyl)-2-methoxypropanoic acid
PubChem CID91204771
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(3-aminophenyl)-2-methoxypropanoic acid
SMILESCOC(C)(C(=O)O)c1cccc(N)c1
InChIInChI=1S/C10H13NO3/c1-10(14-2,9(12)13)7-4-3-5-8(11)6-7/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyXZNZTIOSLTZRBY-UHFFFAOYSA-N
XLogP1.22
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-2-methoxypropanoic acid?
The IUPAC name of 2-(3-aminophenyl)-2-methoxypropanoic acid (CID 91204771) is 2-(3-aminophenyl)-2-methoxypropanoic acid.
What is the SMILES notation for 2-(3-aminophenyl)-2-methoxypropanoic acid?
The canonical SMILES for 2-(3-aminophenyl)-2-methoxypropanoic acid is COC(C)(C(=O)O)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-2-methoxypropanoic acid?
The InChIKey is XZNZTIOSLTZRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(14-2,9(12)13)7-4-3-5-8(11)6-7/h3-6H,11H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-aminophenyl)-2-methoxypropanoic acid?
2-(3-aminophenyl)-2-methoxypropanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-2-methoxypropanoic acid is sourced from PubChem (CID 91204771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).