1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid

C13H16N2O5 — CID 122058782

IUPAC1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCOC(=O)c1ccc(N2CCCC2C(=O)O)nc1OC
InChIInChI=1S/C13H16N2O5/c1-19-11-8(13(18)20-2)5-6-10(14-11)15-7-3-4-9(15)12(16)17/h5-6,9H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyOZUYGSNRAPGRHC-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.93
Rot. Bonds4

About 1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid

1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 122058782) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID122058782
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCOC(=O)c1ccc(N2CCCC2C(=O)O)nc1OC
InChIInChI=1S/C13H16N2O5/c1-19-11-8(13(18)20-2)5-6-10(14-11)15-7-3-4-9(15)12(16)17/h5-6,9H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyOZUYGSNRAPGRHC-UHFFFAOYSA-N
XLogP0.93
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methoxy-6-(2-methylpyrrolidin-1-yl)pyridine-3-carboxylate
CID 133491968
1-(2-methoxycarbonylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66290681
methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate
CID 133492503
methyl 6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypyridine-3-carboxylate
CID 133490158
1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66290680
(2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 90114938
(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965105
methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate
CID 133487964
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
1-(6-methylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
CID 82236002
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid (CID 122058782) is 1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid is COC(=O)c1ccc(N2CCCC2C(=O)O)nc1OC.
What is the InChIKey of 1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OZUYGSNRAPGRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-19-11-8(13(18)20-2)5-6-10(14-11)15-7-3-4-9(15)12(16)17/h5-6,9H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122058782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).