1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid

C11H15N3O4 — CID 136959007

IUPAC1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCOc1c(N2CCCC2(C)C(=O)O)nc[nH]c1=O
InChIInChI=1S/C11H15N3O4/c1-11(10(16)17)4-3-5-14(11)8-7(18-2)9(15)13-6-12-8/h6H,3-5H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyCZLFHLJLFCOUQP-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.22
Rot. Bonds3

About 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid

1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 136959007) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID136959007
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCOc1c(N2CCCC2(C)C(=O)O)nc[nH]c1=O
InChIInChI=1S/C11H15N3O4/c1-11(10(16)17)4-3-5-14(11)8-7(18-2)9(15)13-6-12-8/h6H,3-5H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyCZLFHLJLFCOUQP-UHFFFAOYSA-N
XLogP0.22
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid (CID 136959007) is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid is COc1c(N2CCCC2(C)C(=O)O)nc[nH]c1=O.
What is the InChIKey of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is CZLFHLJLFCOUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(10(16)17)4-3-5-14(11)8-7(18-2)9(15)13-6-12-8/h6H,3-5H2,1-2H3,(H,16,17)(H,12,13,15).
What are the key properties of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid?
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136959007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).