2-[2-[(5-amino-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid

C14H14N2O3 — CID 115462291

IUPAC2-[2-[(5-amino-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid
SMILESNc1ccc(=O)n(Cc2ccccc2CC(=O)O)c1
InChIInChI=1S/C14H14N2O3/c15-12-5-6-13(17)16(9-12)8-11-4-2-1-3-10(11)7-14(18)19/h1-6,9H,7-8,15H2,(H,18,19)
InChIKeyGECPQTAFOADXJT-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.11
Rot. Bonds4

About 2-[2-[(5-amino-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid

2-[2-[(5-amino-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid (PubChem CID 115462291) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[2-[(5-amino-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-amino-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid
PubChem CID115462291
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[2-[(5-amino-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid
SMILESNc1ccc(=O)n(Cc2ccccc2CC(=O)O)c1
InChIInChI=1S/C14H14N2O3/c15-12-5-6-13(17)16(9-12)8-11-4-2-1-3-10(11)7-14(18)19/h1-6,9H,7-8,15H2,(H,18,19)
InChIKeyGECPQTAFOADXJT-UHFFFAOYSA-N
XLogP1.11
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-amino-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(5-amino-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid (CID 115462291) is 2-[2-[(5-amino-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(5-amino-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(5-amino-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid is Nc1ccc(=O)n(Cc2ccccc2CC(=O)O)c1.
What is the InChIKey of 2-[2-[(5-amino-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid?
The InChIKey is GECPQTAFOADXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-12-5-6-13(17)16(9-12)8-11-4-2-1-3-10(11)7-14(18)19/h1-6,9H,7-8,15H2,(H,18,19).
What are the key properties of 2-[2-[(5-amino-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid?
2-[2-[(5-amino-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid has a molecular weight of 258.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-amino-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid is sourced from PubChem (CID 115462291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).