2-[(2-hydroxyphenyl)methylamino]acetic acid

C9H11NO3 — CID 10726079

IUPAC2-[(2-hydroxyphenyl)methylamino]acetic acid
SMILESO=C(O)CNCc1ccccc1O
InChIInChI=1S/C9H11NO3/c11-8-4-2-1-3-7(8)5-10-6-9(12)13/h1-4,10-11H,5-6H2,(H,12,13)
InChIKeyFZQZIWPHRQKFPS-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.57
Rot. Bonds4

About 2-[(2-hydroxyphenyl)methylamino]acetic acid

2-[(2-hydroxyphenyl)methylamino]acetic acid (PubChem CID 10726079) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylamino]acetic acid
PubChem CID10726079
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-[(2-hydroxyphenyl)methylamino]acetic acid
SMILESO=C(O)CNCc1ccccc1O
InChIInChI=1S/C9H11NO3/c11-8-4-2-1-3-7(8)5-10-6-9(12)13/h1-4,10-11H,5-6H2,(H,12,13)
InChIKeyFZQZIWPHRQKFPS-UHFFFAOYSA-N
XLogP0.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylamino]acetic acid?
The IUPAC name of 2-[(2-hydroxyphenyl)methylamino]acetic acid (CID 10726079) is 2-[(2-hydroxyphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylamino]acetic acid is O=C(O)CNCc1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylamino]acetic acid?
The InChIKey is FZQZIWPHRQKFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-8-4-2-1-3-7(8)5-10-6-9(12)13/h1-4,10-11H,5-6H2,(H,12,13).
What are the key properties of 2-[(2-hydroxyphenyl)methylamino]acetic acid?
2-[(2-hydroxyphenyl)methylamino]acetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylamino]acetic acid is sourced from PubChem (CID 10726079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).