2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid

C13H19NO3 — CID 82893724

IUPAC2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid
SMILESCOc1cc(C)nc(CC(C(=O)O)C(C)C)c1
InChIInChI=1S/C13H19NO3/c1-8(2)12(13(15)16)7-10-6-11(17-4)5-9(3)14-10/h5-6,8,12H,7H2,1-4H3,(H,15,16)
InChIKeyNVHWKEKYYQSBBL-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.30
Rot. Bonds5

About 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid

2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid (PubChem CID 82893724) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid
PubChem CID82893724
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid
SMILESCOc1cc(C)nc(CC(C(=O)O)C(C)C)c1
InChIInChI=1S/C13H19NO3/c1-8(2)12(13(15)16)7-10-6-11(17-4)5-9(3)14-10/h5-6,8,12H,7H2,1-4H3,(H,15,16)
InChIKeyNVHWKEKYYQSBBL-UHFFFAOYSA-N
XLogP2.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-oxopropanoic acid
CID 103973248
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-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hexanoic acid
CID 113440529
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid
CID 82892879
2-[(4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 69402022
2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 82892804
(2R)-2-acetamido-3-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]propanoic acid
CID 107774545
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]acetic acid
CID 82893407
3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79426193
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol
CID 82893454
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid
CID 82893491

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid (CID 82893724) is 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid is COc1cc(C)nc(CC(C(=O)O)C(C)C)c1.
What is the InChIKey of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid?
The InChIKey is NVHWKEKYYQSBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8(2)12(13(15)16)7-10-6-11(17-4)5-9(3)14-10/h5-6,8,12H,7H2,1-4H3,(H,15,16).
What are the key properties of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid?
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid is sourced from PubChem (CID 82893724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).