1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid

C12H12N2O5 — CID 168690786

IUPAC1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOC(=O)c1cccnc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H12N2O5/c1-19-12(18)8-3-2-4-13-10(8)14-6-7(11(16)17)5-9(14)15/h2-4,7H,5-6H2,1H3,(H,16,17)
InChIKeyUGCWWSCCHYJIPT-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.31
Rot. Bonds3

About 1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid

1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168690786) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168690786
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOC(=O)c1cccnc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H12N2O5/c1-19-12(18)8-3-2-4-13-10(8)14-6-7(11(16)17)5-9(14)15/h2-4,7H,5-6H2,1H3,(H,16,17)
InChIKeyUGCWWSCCHYJIPT-UHFFFAOYSA-N
XLogP0.31
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 735284
1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692272
methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693214
1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742638
methyl 1-(3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694996
methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate
CID 124672500
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168696475
1-(5-iodo-3-methoxycarbonylpyrazin-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690785
1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692273
1-(3-bromo-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690766
methyl 1-(2-iodo-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168695320

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168690786) is 1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is COC(=O)c1cccnc1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is UGCWWSCCHYJIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-19-12(18)8-3-2-4-13-10(8)14-6-7(11(16)17)5-9(14)15/h2-4,7H,5-6H2,1H3,(H,16,17).
What are the key properties of 1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).