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

C11H15N3O5 — CID 136958393

IUPAC4-methoxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCOc1c(N2CC(OC)CC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-18-6-3-7(11(16)17)14(4-6)9-8(19-2)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyWDYRBIZRORZUQE-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.54
Rot. Bonds4

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

4-methoxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 136958393) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-methoxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID136958393
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name4-methoxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCOc1c(N2CC(OC)CC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-18-6-3-7(11(16)17)14(4-6)9-8(19-2)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyWDYRBIZRORZUQE-UHFFFAOYSA-N
XLogP-0.54
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 136958393) is 4-methoxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is COc1c(N2CC(OC)CC2C(=O)O)nc[nH]c1=O.
What is the InChIKey of 4-methoxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is WDYRBIZRORZUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-18-6-3-7(11(16)17)14(4-6)9-8(19-2)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,16,17)(H,12,13,15).
What are the key properties of 4-methoxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136958393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).