2-[(6-methyl-3-pyridinyl)amino]acetic acid

C8H10N2O2 — CID 20805778

IUPAC2-[(6-methyl-3-pyridinyl)amino]acetic acid
SMILESCc1ccc(NCC(=O)O)cn1
InChIInChI=1S/C8H10N2O2/c1-6-2-3-7(4-9-6)10-5-8(11)12/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyVQQLZXNZAHGWMR-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.89
Rot. Bonds3

About 2-[(6-methyl-3-pyridinyl)amino]acetic acid

2-[(6-methyl-3-pyridinyl)amino]acetic acid (PubChem CID 20805778) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-[(6-methyl-3-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-methyl-3-pyridinyl)amino]acetic acid
PubChem CID20805778
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-[(6-methyl-3-pyridinyl)amino]acetic acid
SMILESCc1ccc(NCC(=O)O)cn1
InChIInChI=1S/C8H10N2O2/c1-6-2-3-7(4-9-6)10-5-8(11)12/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyVQQLZXNZAHGWMR-UHFFFAOYSA-N
XLogP0.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-3-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[(6-methyl-3-pyridinyl)amino]acetic acid (CID 20805778) is 2-[(6-methyl-3-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-methyl-3-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[(6-methyl-3-pyridinyl)amino]acetic acid is Cc1ccc(NCC(=O)O)cn1.
What is the InChIKey of 2-[(6-methyl-3-pyridinyl)amino]acetic acid?
The InChIKey is VQQLZXNZAHGWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-2-3-7(4-9-6)10-5-8(11)12/h2-4,10H,5H2,1H3,(H,11,12).
What are the key properties of 2-[(6-methyl-3-pyridinyl)amino]acetic acid?
2-[(6-methyl-3-pyridinyl)amino]acetic acid has a molecular weight of 166.18 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-3-pyridinyl)amino]acetic acid is sourced from PubChem (CID 20805778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).