4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid

C10H12N2O3 — CID 170483537

IUPAC4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid
SMILESCOc1cc(C=CCC(=O)O)cnc1N
InChIInChI=1S/C10H12N2O3/c1-15-8-5-7(6-12-10(8)11)3-2-4-9(13)14/h2-3,5-6H,4H2,1H3,(H2,11,12)(H,13,14)
InChIKeyRHVSVVNSJAEPFV-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.16
Rot. Bonds4

About 4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid

4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid (PubChem CID 170483537) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid.

Molecular Properties

Compound Name4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid
PubChem CID170483537
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid
SMILESCOc1cc(C=CCC(=O)O)cnc1N
InChIInChI=1S/C10H12N2O3/c1-15-8-5-7(6-12-10(8)11)3-2-4-9(13)14/h2-3,5-6H,4H2,1H3,(H2,11,12)(H,13,14)
InChIKeyRHVSVVNSJAEPFV-UHFFFAOYSA-N
XLogP1.16
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid
CID 170484144
5-(4-chlorobut-1-enyl)-3-methoxypyridin-2-amine
CID 170499115
ethyl (E)-3-(6-amino-5-methoxy-3-pyridinyl)prop-2-enoate
CID 66961501
4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid
CID 170483669
2-amino-5-(4-methoxy-4-oxobut-1-enyl)pyridine-3-carboxylic acid
CID 170501228
4-(3-carboxyprop-1-enyl)-3,5-dimethoxybenzoic acid
CID 170484443
(E)-4-(3,4-diethoxyphenyl)but-3-enoic acid
CID 102534267
methyl 2-amino-5-(4-ethoxy-4-oxobut-1-enyl)pyridine-3-carboxylate
CID 170796737
(E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid
CID 19926608
methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate
CID 170500531
4-(2-methylsulfanylpyrimidin-5-yl)but-3-enoic acid
CID 170483203
4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide
CID 170797876

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid?
The IUPAC name of 4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid (CID 170483537) is 4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid.
What is the SMILES notation for 4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid?
The canonical SMILES for 4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid is COc1cc(C=CCC(=O)O)cnc1N.
What is the InChIKey of 4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid?
The InChIKey is RHVSVVNSJAEPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-8-5-7(6-12-10(8)11)3-2-4-9(13)14/h2-3,5-6H,4H2,1H3,(H2,11,12)(H,13,14).
What are the key properties of 4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid?
4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid has a molecular weight of 208.22 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid is sourced from PubChem (CID 170483537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).