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

C11H12N2O4 — CID 170484144

IUPAC4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid
SMILESCOC(=O)c1cc(C=CCC(=O)O)cnc1N
InChIInChI=1S/C11H12N2O4/c1-17-11(16)8-5-7(6-13-10(8)12)3-2-4-9(14)15/h2-3,5-6H,4H2,1H3,(H2,12,13)(H,14,15)
InChIKeyBTVOUCAZCCYSRY-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.94
Rot. Bonds4

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

4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid (PubChem CID 170484144) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid.

Molecular Properties

Compound Name4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid
PubChem CID170484144
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid
SMILESCOC(=O)c1cc(C=CCC(=O)O)cnc1N
InChIInChI=1S/C11H12N2O4/c1-17-11(16)8-5-7(6-13-10(8)12)3-2-4-9(14)15/h2-3,5-6H,4H2,1H3,(H2,12,13)(H,14,15)
InChIKeyBTVOUCAZCCYSRY-UHFFFAOYSA-N
XLogP0.94
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-amino-5-(4-ethoxy-4-oxobut-1-enyl)pyridine-3-carboxylate
CID 170796737
2-amino-5-(4-methoxy-4-oxobut-1-enyl)pyridine-3-carboxylic acid
CID 170501228
4-(6-amino-5-methoxy-3-pyridinyl)but-3-enoic acid
CID 170483537
4-(3-methoxycarbonyl-4-methylphenyl)but-3-enoic acid
CID 170484083
5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid
CID 169465798
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid
CID 170483669
4-(3-methoxycarbonyl-4-methyl-5-nitrophenyl)but-3-enoic acid
CID 170484510
methyl 6-amino-5-(4-methoxy-4-oxobut-1-enyl)pyridine-3-carboxylate
CID 170501488
methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate
CID 170500531
3-(6-chloro-5-methoxycarbonyl-3-pyridinyl)prop-2-enoic acid
CID 169460837
4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid
CID 170483660

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid?
The IUPAC name of 4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid (CID 170484144) is 4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid.
What is the SMILES notation for 4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid?
The canonical SMILES for 4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid is COC(=O)c1cc(C=CCC(=O)O)cnc1N.
What is the InChIKey of 4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid?
The InChIKey is BTVOUCAZCCYSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-17-11(16)8-5-7(6-13-10(8)12)3-2-4-9(14)15/h2-3,5-6H,4H2,1H3,(H2,12,13)(H,14,15).
What are the key properties of 4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid?
4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid has a molecular weight of 236.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-methoxycarbonyl-3-pyridinyl)but-3-enoic acid is sourced from PubChem (CID 170484144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).