2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid

C15H15NO4 — CID 104825495

IUPAC2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
SMILESNc1cccc(COc2ccccc2CO)c1C(=O)O
InChIInChI=1S/C15H15NO4/c16-12-6-3-5-11(14(12)15(18)19)9-20-13-7-2-1-4-10(13)8-17/h1-7,17H,8-9,16H2,(H,18,19)
InChIKeyUIYDALOKZYJXIG-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.04
Rot. Bonds5

About 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid

2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid (PubChem CID 104825495) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid.

Molecular Properties

Compound Name2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
PubChem CID104825495
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
SMILESNc1cccc(COc2ccccc2CO)c1C(=O)O
InChIInChI=1S/C15H15NO4/c16-12-6-3-5-11(14(12)15(18)19)9-20-13-7-2-1-4-10(13)8-17/h1-7,17H,8-9,16H2,(H,18,19)
InChIKeyUIYDALOKZYJXIG-UHFFFAOYSA-N
XLogP2.04
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate
CID 104825496
2-amino-6-[(2-methylphenoxy)methyl]benzoic acid
CID 104825317
2-amino-6-[(2-cyanophenoxy)methyl]benzoic acid
CID 104825344
2-amino-6-[(2-methylsulfanylphenoxy)methyl]benzoic acid
CID 104825491
2-amino-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107341591
2-[[2-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63680399
2-amino-6-[(2,4,6-triiodophenoxy)methyl]benzoic acid
CID 104825421
5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
CID 63679246
2-amino-6-(butan-2-yloxymethyl)benzoic acid
CID 104825450
2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107341632
methyl 2-amino-6-[(2-methylphenyl)methoxy]benzoate
CID 107341726
4-[[2-(hydroxymethyl)phenoxy]methyl]benzamide
CID 103616898

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid?
The IUPAC name of 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid (CID 104825495) is 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid.
What is the SMILES notation for 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid?
The canonical SMILES for 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid is Nc1cccc(COc2ccccc2CO)c1C(=O)O.
What is the InChIKey of 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid?
The InChIKey is UIYDALOKZYJXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c16-12-6-3-5-11(14(12)15(18)19)9-20-13-7-2-1-4-10(13)8-17/h1-7,17H,8-9,16H2,(H,18,19).
What are the key properties of 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid?
2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid is sourced from PubChem (CID 104825495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).