2-(2-amino-4-methylpyridin-1-ium-1-yl)acetic acid

C8H11N2O2+ — CID 2316765

IUPAC2-(2-amino-4-methylpyridin-1-ium-1-yl)acetic acid
SMILESCc1cc[n+](CC(=O)O)c(N)c1
InChIInChI=1S/C8H10N2O2/c1-6-2-3-10(5-8(11)12)7(9)4-6/h2-4,9H,5H2,1H3,(H,11,12)/p+1
InChIKeyUUNHVIWPUCQRMV-UHFFFAOYSA-O
MW167.19 g/mol
LogP-0.05
Rot. Bonds2

About 2-(2-amino-4-methylpyridin-1-ium-1-yl)acetic acid

2-(2-amino-4-methylpyridin-1-ium-1-yl)acetic acid (PubChem CID 2316765) has the molecular formula C8H11N2O2+ and a molecular weight of 167.19 g/mol. Its IUPAC name is 2-(2-amino-4-methylpyridin-1-ium-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-4-methylpyridin-1-ium-1-yl)acetic acid
PubChem CID2316765
Molecular FormulaC8H11N2O2+
Molecular Weight167.19 g/mol
Exact Mass167.08
IUPAC Name2-(2-amino-4-methylpyridin-1-ium-1-yl)acetic acid
SMILESCc1cc[n+](CC(=O)O)c(N)c1
InChIInChI=1S/C8H10N2O2/c1-6-2-3-10(5-8(11)12)7(9)4-6/h2-4,9H,5H2,1H3,(H,11,12)/p+1
InChIKeyUUNHVIWPUCQRMV-UHFFFAOYSA-O
XLogP-0.05
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylpyridin-1-ium-1-yl)acetic acid?
The IUPAC name of 2-(2-amino-4-methylpyridin-1-ium-1-yl)acetic acid (CID 2316765) is 2-(2-amino-4-methylpyridin-1-ium-1-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-4-methylpyridin-1-ium-1-yl)acetic acid?
The canonical SMILES for 2-(2-amino-4-methylpyridin-1-ium-1-yl)acetic acid is Cc1cc[n+](CC(=O)O)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylpyridin-1-ium-1-yl)acetic acid?
The InChIKey is UUNHVIWPUCQRMV-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N2O2/c1-6-2-3-10(5-8(11)12)7(9)4-6/h2-4,9H,5H2,1H3,(H,11,12)/p+1.
What are the key properties of 2-(2-amino-4-methylpyridin-1-ium-1-yl)acetic acid?
2-(2-amino-4-methylpyridin-1-ium-1-yl)acetic acid has a molecular weight of 167.19 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylpyridin-1-ium-1-yl)acetic acid is sourced from PubChem (CID 2316765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).