2-[[2-(4-methylphenoxy)pyridine-3-carbonyl]amino]acetic acid

C15H14N2O4 — CID 2801072

IUPAC2-[[2-(4-methylphenoxy)pyridine-3-carbonyl]amino]acetic acid
SMILESCc1ccc(Oc2ncccc2C(=O)NCC(=O)O)cc1
InChIInChI=1S/C15H14N2O4/c1-10-4-6-11(7-5-10)21-15-12(3-2-8-16-15)14(20)17-9-13(18)19/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyIBWWIXNURQGRFH-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.00
Rot. Bonds5

About 2-[[2-(4-methylphenoxy)pyridine-3-carbonyl]amino]acetic acid

2-[[2-(4-methylphenoxy)pyridine-3-carbonyl]amino]acetic acid (PubChem CID 2801072) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[[2-(4-methylphenoxy)pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-methylphenoxy)pyridine-3-carbonyl]amino]acetic acid
PubChem CID2801072
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[[2-(4-methylphenoxy)pyridine-3-carbonyl]amino]acetic acid
SMILESCc1ccc(Oc2ncccc2C(=O)NCC(=O)O)cc1
InChIInChI=1S/C15H14N2O4/c1-10-4-6-11(7-5-10)21-15-12(3-2-8-16-15)14(20)17-9-13(18)19/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyIBWWIXNURQGRFH-UHFFFAOYSA-N
XLogP2.00
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylphenoxy)pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-methylphenoxy)pyridine-3-carbonyl]amino]acetic acid (CID 2801072) is 2-[[2-(4-methylphenoxy)pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-methylphenoxy)pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-methylphenoxy)pyridine-3-carbonyl]amino]acetic acid is Cc1ccc(Oc2ncccc2C(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[2-(4-methylphenoxy)pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is IBWWIXNURQGRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10-4-6-11(7-5-10)21-15-12(3-2-8-16-15)14(20)17-9-13(18)19/h2-8H,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[[2-(4-methylphenoxy)pyridine-3-carbonyl]amino]acetic acid?
2-[[2-(4-methylphenoxy)pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 286.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylphenoxy)pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 2801072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).