2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetic acid

C15H16N2O3 — CID 91387442

IUPAC2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccccn1)Cc1ccccc1O
InChIInChI=1S/C15H16N2O3/c18-14-7-2-1-5-12(14)9-17(11-15(19)20)10-13-6-3-4-8-16-13/h1-8,18H,9-11H2,(H,19,20)
InChIKeyOUZUHSKBMMOIRK-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.87
Rot. Bonds6

About 2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetic acid

2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetic acid (PubChem CID 91387442) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetic acid
PubChem CID91387442
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccccn1)Cc1ccccc1O
InChIInChI=1S/C15H16N2O3/c18-14-7-2-1-5-12(14)9-17(11-15(19)20)10-13-6-3-4-8-16-13/h1-8,18H,9-11H2,(H,19,20)
InChIKeyOUZUHSKBMMOIRK-UHFFFAOYSA-N
XLogP1.87
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)methyl-(pyridin-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetic acid (CID 91387442) is 2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetic acid is O=C(O)CN(Cc1ccccn1)Cc1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetic acid?
The InChIKey is OUZUHSKBMMOIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-14-7-2-1-5-12(14)9-17(11-15(19)20)10-13-6-3-4-8-16-13/h1-8,18H,9-11H2,(H,19,20).
What are the key properties of 2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetic acid?
2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 91387442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).