2-[methyl(pyridin-3-ylmethyl)amino]acetic acid

C9H12N2O2 — CID 6483881

IUPAC2-[methyl(pyridin-3-ylmethyl)amino]acetic acid
SMILESCN(CC(=O)O)Cc1cccnc1
InChIInChI=1S/C9H12N2O2/c1-11(7-9(12)13)6-8-3-2-4-10-5-8/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeySJHDAHRJTPYHED-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.60
Rot. Bonds4

About 2-[methyl(pyridin-3-ylmethyl)amino]acetic acid

2-[methyl(pyridin-3-ylmethyl)amino]acetic acid (PubChem CID 6483881) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-[methyl(pyridin-3-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(pyridin-3-ylmethyl)amino]acetic acid
PubChem CID6483881
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-[methyl(pyridin-3-ylmethyl)amino]acetic acid
SMILESCN(CC(=O)O)Cc1cccnc1
InChIInChI=1S/C9H12N2O2/c1-11(7-9(12)13)6-8-3-2-4-10-5-8/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeySJHDAHRJTPYHED-UHFFFAOYSA-N
XLogP0.60
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[methyl(pyridin-3-ylmethyl)amino]acetic acid (CID 6483881) is 2-[methyl(pyridin-3-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(pyridin-3-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(pyridin-3-ylmethyl)amino]acetic acid is CN(CC(=O)O)Cc1cccnc1.
What is the InChIKey of 2-[methyl(pyridin-3-ylmethyl)amino]acetic acid?
The InChIKey is SJHDAHRJTPYHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(7-9(12)13)6-8-3-2-4-10-5-8/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-[methyl(pyridin-3-ylmethyl)amino]acetic acid?
2-[methyl(pyridin-3-ylmethyl)amino]acetic acid has a molecular weight of 180.21 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-3-ylmethyl)amino]acetic acid is sourced from PubChem (CID 6483881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).