2-(dimethylamino)-2-pyridin-3-ylacetic acid

C9H12N2O2 — CID 22713930

IUPAC2-(dimethylamino)-2-pyridin-3-ylacetic acid
SMILESCN(C)C(C(=O)O)c1cccnc1
InChIInChI=1S/C9H12N2O2/c1-11(2)8(9(12)13)7-4-3-5-10-6-7/h3-6,8H,1-2H3,(H,12,13)
InChIKeyXIHXVZRSQDQUSZ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.77
Rot. Bonds3

About 2-(dimethylamino)-2-pyridin-3-ylacetic acid

2-(dimethylamino)-2-pyridin-3-ylacetic acid (PubChem CID 22713930) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(dimethylamino)-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-pyridin-3-ylacetic acid
PubChem CID22713930
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(dimethylamino)-2-pyridin-3-ylacetic acid
SMILESCN(C)C(C(=O)O)c1cccnc1
InChIInChI=1S/C9H12N2O2/c1-11(2)8(9(12)13)7-4-3-5-10-6-7/h3-6,8H,1-2H3,(H,12,13)
InChIKeyXIHXVZRSQDQUSZ-UHFFFAOYSA-N
XLogP0.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-pyridin-3-ylacetic acid?
The IUPAC name of 2-(dimethylamino)-2-pyridin-3-ylacetic acid (CID 22713930) is 2-(dimethylamino)-2-pyridin-3-ylacetic acid.
What is the SMILES notation for 2-(dimethylamino)-2-pyridin-3-ylacetic acid?
The canonical SMILES for 2-(dimethylamino)-2-pyridin-3-ylacetic acid is CN(C)C(C(=O)O)c1cccnc1.
What is the InChIKey of 2-(dimethylamino)-2-pyridin-3-ylacetic acid?
The InChIKey is XIHXVZRSQDQUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(2)8(9(12)13)7-4-3-5-10-6-7/h3-6,8H,1-2H3,(H,12,13).
What are the key properties of 2-(dimethylamino)-2-pyridin-3-ylacetic acid?
2-(dimethylamino)-2-pyridin-3-ylacetic acid has a molecular weight of 180.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 22713930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).