4-(2-methoxy-3-pyridinyl)but-3-enoic acid

C10H11NO3 — CID 170483350

IUPAC4-(2-methoxy-3-pyridinyl)but-3-enoic acid
SMILESCOc1ncccc1C=CCC(=O)O
InChIInChI=1S/C10H11NO3/c1-14-10-8(5-3-7-11-10)4-2-6-9(12)13/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyYEAIXPAHYJTITO-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.58
Rot. Bonds4

About 4-(2-methoxy-3-pyridinyl)but-3-enoic acid

4-(2-methoxy-3-pyridinyl)but-3-enoic acid (PubChem CID 170483350) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-(2-methoxy-3-pyridinyl)but-3-enoic acid.

Molecular Properties

Compound Name4-(2-methoxy-3-pyridinyl)but-3-enoic acid
PubChem CID170483350
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-(2-methoxy-3-pyridinyl)but-3-enoic acid
SMILESCOc1ncccc1C=CCC(=O)O
InChIInChI=1S/C10H11NO3/c1-14-10-8(5-3-7-11-10)4-2-6-9(12)13/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyYEAIXPAHYJTITO-UHFFFAOYSA-N
XLogP1.58
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-3-pyridinyl)prop-2-enal
CID 169458903
3-(4-methoxy-4-oxobut-1-enyl)pyridine-2-carboxylic acid
CID 170500957
3-(3-carboxyprop-1-enyl)-2-methoxybenzoic acid
CID 170484118
2-methoxypyridine-3-carbaldehyde;phosphoric acid
CID 172754145
(E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid
CID 19926633
4-[2-fluoro-4-(methoxymethoxy)phenyl]but-3-enoic acid
CID 170484049
4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid
CID 170483660
2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid
CID 80741526
3-(2-methoxy-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 118562115
(E)-4-(2-aminophenyl)but-3-enoic acid
CID 50852404
4-[2-[(E)-2-carboxyethenyl]phenyl]but-3-enoic acid
CID 170484079
ethyl 4-(2-bromo-3-pyridinyl)but-3-enoate
CID 170797160

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3-pyridinyl)but-3-enoic acid?
The IUPAC name of 4-(2-methoxy-3-pyridinyl)but-3-enoic acid (CID 170483350) is 4-(2-methoxy-3-pyridinyl)but-3-enoic acid.
What is the SMILES notation for 4-(2-methoxy-3-pyridinyl)but-3-enoic acid?
The canonical SMILES for 4-(2-methoxy-3-pyridinyl)but-3-enoic acid is COc1ncccc1C=CCC(=O)O.
What is the InChIKey of 4-(2-methoxy-3-pyridinyl)but-3-enoic acid?
The InChIKey is YEAIXPAHYJTITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-10-8(5-3-7-11-10)4-2-6-9(12)13/h2-5,7H,6H2,1H3,(H,12,13).
What are the key properties of 4-(2-methoxy-3-pyridinyl)but-3-enoic acid?
4-(2-methoxy-3-pyridinyl)but-3-enoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3-pyridinyl)but-3-enoic acid is sourced from PubChem (CID 170483350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).