2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid

C10H13NO4 — CID 11644169

IUPAC2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid
SMILESCOC(=O)N1C=CC(C(C)C(=O)O)C=C1
InChIInChI=1S/C10H13NO4/c1-7(9(12)13)8-3-5-11(6-4-8)10(14)15-2/h3-8H,1-2H3,(H,12,13)
InChIKeyWPVKLNJHIXTTFX-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.43
Rot. Bonds2

About 2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid

2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid (PubChem CID 11644169) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid
PubChem CID11644169
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid
SMILESCOC(=O)N1C=CC(C(C)C(=O)O)C=C1
InChIInChI=1S/C10H13NO4/c1-7(9(12)13)8-3-5-11(6-4-8)10(14)15-2/h3-8H,1-2H3,(H,12,13)
InChIKeyWPVKLNJHIXTTFX-UHFFFAOYSA-N
XLogP1.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(1-methoxy-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate
CID 13122726
2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid
CID 15525620
2-(1-acetyl-4H-pyridin-4-yl)acetic acid
CID 101540814
2-(3-fluoro-1-methoxycarbonyl-4H-pyridin-4-yl)-2-methylpropanoic acid
CID 101482130
methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate
CID 14918496
1-methoxycarbonyl-4H-pyridine-3-carboxylic acid
CID 148549742
2-(1-methoxycarbonyl-4H-pyridin-4-yl)-3-methylbutanoic acid
CID 11536029
2-(1-methoxycarbonyl-4H-pyridin-4-yl)-2-trimethylsilylacetic acid
CID 11536332
2-(1-methoxycarbonyl-4H-pyridin-4-yl)butanoic acid
CID 11550352
2-(1-methoxycarbonyl-4H-pyridin-4-yl)hex-5-enoic acid
CID 11550571
2-(1-methoxycarbonyl-2-methyl-4H-pyridin-4-yl)-2-methylpropanoic acid
CID 11579588
2-(1-methoxycarbonyl-4H-pyridin-4-yl)acetic acid
CID 11593610

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid?
The IUPAC name of 2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid (CID 11644169) is 2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid.
What is the SMILES notation for 2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid?
The canonical SMILES for 2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid is COC(=O)N1C=CC(C(C)C(=O)O)C=C1.
What is the InChIKey of 2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid?
The InChIKey is WPVKLNJHIXTTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7(9(12)13)8-3-5-11(6-4-8)10(14)15-2/h3-8H,1-2H3,(H,12,13).
What are the key properties of 2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid?
2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycarbonyl-4H-pyridin-4-yl)propanoic acid is sourced from PubChem (CID 11644169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).