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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Related Compounds

2-amino-2-(4-methoxy-2,6-dimethyl-3-pyridinyl)acetic acid
CID 84677594
2-amino-2-(4,5-dimethoxypyrimidin-2-yl)acetic acid
CID 84782547
(2S)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 66513064
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265
(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 124634776
2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117403292
2-amino-2-(3-bromo-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117488962
2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
CID 22309144
(2S)-2-amino-2-(2-hydroxy-4,6-dimethoxyphenyl)acetic acid
CID 66513076
(2S)-2-amino-2-(2-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 66512366
5,6-dimethoxy-2-methylpyridine-3-carboxamide
CID 174786229
methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
CID 116856970

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).