2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid

C18H19NO6 — CID 122441506

IUPAC2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid
SMILESCCOC(=O)c1cc(C)n(CC(=O)O)c(=O)c1OCc1ccccc1
InChIInChI=1S/C18H19NO6/c1-3-24-18(23)14-9-12(2)19(10-15(20)21)17(22)16(14)25-11-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyWBBVQVDFNDCKOZ-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.00
Rot. Bonds7

About 2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid

2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid (PubChem CID 122441506) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid
PubChem CID122441506
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid
SMILESCCOC(=O)c1cc(C)n(CC(=O)O)c(=O)c1OCc1ccccc1
InChIInChI=1S/C18H19NO6/c1-3-24-18(23)14-9-12(2)19(10-15(20)21)17(22)16(14)25-11-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyWBBVQVDFNDCKOZ-UHFFFAOYSA-N
XLogP2.00
TPSA94.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetic acid
CID 7130686
ethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 661090
ethyl 2-[6-ethoxycarbonyl-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)benzoate
CID 10396060
3-[6-methyl-2-oxo-1-[2-oxo-2-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-3-phenylmethoxypyridine-4-carbonyl]-1,3-thiazolidin-2-one
CID 129302782
ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate
CID 138512675
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate
CID 129086322
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
CID 66941625
ethyl 3,5-difluoro-2-iodo-4-phenylmethoxybenzoate
CID 137378527
ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 134464571
ethyl 4-hydroxy-5,6,8-trimethoxy-3-phenylmethoxynaphthalene-2-carboxylate
CID 24813447

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid?
The IUPAC name of 2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid (CID 122441506) is 2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid is CCOC(=O)c1cc(C)n(CC(=O)O)c(=O)c1OCc1ccccc1.
What is the InChIKey of 2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid?
The InChIKey is WBBVQVDFNDCKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-3-24-18(23)14-9-12(2)19(10-15(20)21)17(22)16(14)25-11-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid?
2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid has a molecular weight of 345.35 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid is sourced from PubChem (CID 122441506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).