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

C12H18N2O3 — CID 114990583

IUPAC2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(Nc1ccc(OC)nc1)C(=O)O
InChIInChI=1S/C12H18N2O3/c1-4-7-12(2,11(15)16)14-9-5-6-10(17-3)13-8-9/h5-6,8,14H,4,7H2,1-3H3,(H,15,16)
InChIKeyRMZVBGMHRMROAV-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.15
Rot. Bonds6

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

2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid (PubChem CID 114990583) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid
PubChem CID114990583
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(Nc1ccc(OC)nc1)C(=O)O
InChIInChI=1S/C12H18N2O3/c1-4-7-12(2,11(15)16)14-9-5-6-10(17-3)13-8-9/h5-6,8,14H,4,7H2,1-3H3,(H,15,16)
InChIKeyRMZVBGMHRMROAV-UHFFFAOYSA-N
XLogP2.15
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid
CID 114987513
2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid
CID 43619335
methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate
CID 43431490
2-[(6-methoxy-3-pyridinyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 54956647
2-(3,4-dimethylanilino)-2-methylpentanoic acid
CID 71564825
N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyhexanamide
CID 133205912
N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 133205936
methyl 2-(4-methoxyanilino)-2-methylpentanoate
CID 54890065
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
(Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid
CID 103230745
2-[(6-methoxy-3-pyridinyl)amino]-N-pentan-3-ylacetamide
CID 54957106
2-(4-methoxyanilino)-2-methylpentanamide
CID 54889125

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid (CID 114990583) is 2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid is CCCC(C)(Nc1ccc(OC)nc1)C(=O)O.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid?
The InChIKey is RMZVBGMHRMROAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-7-12(2,11(15)16)14-9-5-6-10(17-3)13-8-9/h5-6,8,14H,4,7H2,1-3H3,(H,15,16).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid?
2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid has a molecular weight of 238.29 g/mol, XLogP of 2.15, 6 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-methylpentanoic acid is sourced from PubChem (CID 114990583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).