4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid

C11H13NO3 — CID 170483660

IUPAC4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid
SMILESCOc1cc(C)c(C=CCC(=O)O)cn1
InChIInChI=1S/C11H13NO3/c1-8-6-10(15-2)12-7-9(8)4-3-5-11(13)14/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeyXPGUBRXKMLIVCK-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.89
Rot. Bonds4

About 4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid

4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid (PubChem CID 170483660) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid.

Molecular Properties

Compound Name4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid
PubChem CID170483660
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid
SMILESCOc1cc(C)c(C=CCC(=O)O)cn1
InChIInChI=1S/C11H13NO3/c1-8-6-10(15-2)12-7-9(8)4-3-5-11(13)14/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeyXPGUBRXKMLIVCK-UHFFFAOYSA-N
XLogP1.89
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-[2-methoxy-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]but-3-enoic acid
CID 175223659
(E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid
CID 19926608
(E)-4-(5-tert-butyl-4-methoxy-2-methylphenyl)but-3-enoic acid
CID 82302728
4-(6-methoxypyridazin-3-yl)but-3-enoic acid
CID 170483252
4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid
CID 170484144
ethyl 4-(6-fluoro-4-methyl-3-pyridinyl)but-3-enoate
CID 170795829
4-(2-methoxy-3-pyridinyl)but-3-enoic acid
CID 170483350
4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
CID 170797595
4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid
CID 170483537
4-(2-hydroxy-5-methylphenyl)but-3-enoic acid
CID 170483189
4-(2-methyl-1H-imidazol-5-yl)but-3-enoic acid
CID 170483000
4-(2-chloro-5-methoxyphenyl)but-3-enoic acid
CID 85222099

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid?
The IUPAC name of 4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid (CID 170483660) is 4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid.
What is the SMILES notation for 4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid?
The canonical SMILES for 4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid is COc1cc(C)c(C=CCC(=O)O)cn1.
What is the InChIKey of 4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid?
The InChIKey is XPGUBRXKMLIVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8-6-10(15-2)12-7-9(8)4-3-5-11(13)14/h3-4,6-7H,5H2,1-2H3,(H,13,14).
What are the key properties of 4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid?
4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid is sourced from PubChem (CID 170483660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).