2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid

C15H14N2O4 — CID 61058458

IUPAC2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)Cc2ccccn2)c1
InChIInChI=1S/C15H14N2O4/c18-14(9-11-4-1-2-7-16-11)17-12-5-3-6-13(8-12)21-10-15(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKeySTFRZAYAJOPOAF-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.73
Rot. Bonds6

About 2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid

2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid (PubChem CID 61058458) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid
PubChem CID61058458
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)Cc2ccccn2)c1
InChIInChI=1S/C15H14N2O4/c18-14(9-11-4-1-2-7-16-11)17-12-5-3-6-13(8-12)21-10-15(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKeySTFRZAYAJOPOAF-UHFFFAOYSA-N
XLogP1.73
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
3-[3-[(2-pyridin-2-ylacetyl)amino]phenyl]prop-2-enoic acid
CID 76907619
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990
N-(4-ethoxyphenyl)-2-pyridin-2-ylacetamide
CID 110696990
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
CID 55902721
N-(3-hydroxy-4-methylphenyl)-2-pyridin-2-ylacetamide
CID 64794376
2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
CID 61058468
2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid
CID 119224688
2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid
CID 61058340
2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid
CID 79282011

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid (CID 61058458) is 2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)Cc2ccccn2)c1.
What is the InChIKey of 2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid?
The InChIKey is STFRZAYAJOPOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-14(9-11-4-1-2-7-16-11)17-12-5-3-6-13(8-12)21-10-15(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20).
What are the key properties of 2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid?
2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid has a molecular weight of 286.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-pyridin-2-ylacetyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 61058458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).