2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid

C10H14N2O4 — CID 84690386

IUPAC2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid
SMILESCOc1cc(C(N)C(=O)O)nc(OC)c1C
InChIInChI=1S/C10H14N2O4/c1-5-7(15-2)4-6(8(11)10(13)14)12-9(5)16-3/h4,8H,11H2,1-3H3,(H,13,14)
InChIKeyLSZDGESQZIVBIF-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.49
Rot. Bonds4

About 2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid

2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid (PubChem CID 84690386) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid
PubChem CID84690386
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid
SMILESCOc1cc(C(N)C(=O)O)nc(OC)c1C
InChIInChI=1S/C10H14N2O4/c1-5-7(15-2)4-6(8(11)10(13)14)12-9(5)16-3/h4,8H,11H2,1-3H3,(H,13,14)
InChIKeyLSZDGESQZIVBIF-UHFFFAOYSA-N
XLogP0.49
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid?
The IUPAC name of 2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid (CID 84690386) is 2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid is COc1cc(C(N)C(=O)O)nc(OC)c1C.
What is the InChIKey of 2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid?
The InChIKey is LSZDGESQZIVBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-5-7(15-2)4-6(8(11)10(13)14)12-9(5)16-3/h4,8H,11H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid?
2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid has a molecular weight of 226.23 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid is sourced from PubChem (CID 84690386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).