6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid

C14H22N2O3 — CID 113440529

IUPAC6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid
SMILESCOc1cc(C)nc(CC(CCCCN)C(=O)O)c1
InChIInChI=1S/C14H22N2O3/c1-10-7-13(19-2)9-12(16-10)8-11(14(17)18)5-3-4-6-15/h7,9,11H,3-6,8,15H2,1-2H3,(H,17,18)
InChIKeyCDTYNBQFMXJWSE-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.77
Rot. Bonds8

About 6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid

6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid (PubChem CID 113440529) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid
PubChem CID113440529
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid
SMILESCOc1cc(C)nc(CC(CCCCN)C(=O)O)c1
InChIInChI=1S/C14H22N2O3/c1-10-7-13(19-2)9-12(16-10)8-11(14(17)18)5-3-4-6-15/h7,9,11H,3-6,8,15H2,1-2H3,(H,17,18)
InChIKeyCDTYNBQFMXJWSE-UHFFFAOYSA-N
XLogP1.77
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-oxopropanoic acid
CID 103973248
6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid
CID 113440531
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid
CID 82893724
2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid
CID 82893469
2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid
CID 112569186
6-amino-2-[(2,5-dimethylpyrazol-3-yl)methyl]hexanoic acid
CID 104681535
6-amino-2-[(3,4-dimethylphenyl)methyl]hexanoic acid
CID 104681350
3-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfonyl]butan-1-amine
CID 82896451
methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate
CID 103492304
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid
CID 82892879
5-amino-2-[(2,4,6-trimethylphenyl)methyl]pentanoic acid
CID 104681226
5-amino-2-[(3,5-dimethylphenyl)methyl]pentanoic acid
CID 104681094

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid?
The IUPAC name of 6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid (CID 113440529) is 6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid.
What is the SMILES notation for 6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid?
The canonical SMILES for 6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid is COc1cc(C)nc(CC(CCCCN)C(=O)O)c1.
What is the InChIKey of 6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid?
The InChIKey is CDTYNBQFMXJWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-7-13(19-2)9-12(16-10)8-11(14(17)18)5-3-4-6-15/h7,9,11H,3-6,8,15H2,1-2H3,(H,17,18).
What are the key properties of 6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid?
6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid is sourced from PubChem (CID 113440529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).