1-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxylic acid

C14H18N2O4 — CID 50973445

IUPAC1-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1cccc(=O)n1CCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C14H18N2O4/c1-10-4-2-5-12(17)16(10)7-3-6-15-9-11(14(19)20)8-13(15)18/h2,4-5,11H,3,6-9H2,1H3,(H,19,20)
InChIKeyXCLXYOLRGYAIET-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.48
Rot. Bonds5

About 1-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxylic acid

1-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 50973445) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID50973445
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1cccc(=O)n1CCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C14H18N2O4/c1-10-4-2-5-12(17)16(10)7-3-6-15-9-11(14(19)20)8-13(15)18/h2,4-5,11H,3,6-9H2,1H3,(H,19,20)
InChIKeyXCLXYOLRGYAIET-UHFFFAOYSA-N
XLogP0.48
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxylic acid (CID 50973445) is 1-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxylic acid is Cc1cccc(=O)n1CCCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is XCLXYOLRGYAIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-4-2-5-12(17)16(10)7-3-6-15-9-11(14(19)20)8-13(15)18/h2,4-5,11H,3,6-9H2,1H3,(H,19,20).
What are the key properties of 1-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 50973445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).