2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid

C11H16N2O3 — CID 114987513

IUPAC2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(Nc1ccc(OC)nc1)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-4-11(2,10(14)15)13-8-5-6-9(16-3)12-7-8/h5-7,13H,4H2,1-3H3,(H,14,15)
InChIKeyCYFVAMCTKBEANN-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.76
Rot. Bonds5

About 2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid

2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid (PubChem CID 114987513) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid
PubChem CID114987513
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(Nc1ccc(OC)nc1)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-4-11(2,10(14)15)13-8-5-6-9(16-3)12-7-8/h5-7,13H,4H2,1-3H3,(H,14,15)
InChIKeyCYFVAMCTKBEANN-UHFFFAOYSA-N
XLogP1.76
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid
CID 114990583
2-methyl-2-[(6-nitro-3-pyridinyl)amino]butanoic acid
CID 79792047
2-[(6-methoxy-3-pyridinyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 54956647
2-(4-bromoanilino)-2-methylbutanoic acid
CID 60994678
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
2-[(6-methoxy-3-pyridinyl)amino]-N-pentan-3-ylacetamide
CID 54957106
(Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid
CID 103230745
N-(6-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propanamide
CID 62834491
N-butan-2-yl-2-[(6-methoxy-3-pyridinyl)amino]acetamide
CID 43199045
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2-[(5-methoxyisoquinolin-1-yl)amino]-2-methylbutanoic acid
CID 106536335
2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid
CID 61186914

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid (CID 114987513) is 2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid is CCC(C)(Nc1ccc(OC)nc1)C(=O)O.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid?
The InChIKey is CYFVAMCTKBEANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-11(2,10(14)15)13-8-5-6-9(16-3)12-7-8/h5-7,13H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid?
2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 114987513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).