1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid

C11H15N3O4 — CID 136958919

IUPAC1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCOc1c(N2CC(C)C(C(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C11H15N3O4/c1-6-3-14(4-7(6)11(16)17)9-8(18-2)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyYCLSGHMOMQOWNI-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.06
Rot. Bonds3

About 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid

1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 136958919) 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)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID136958919
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCOc1c(N2CC(C)C(C(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C11H15N3O4/c1-6-3-14(4-7(6)11(16)17)9-8(18-2)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyYCLSGHMOMQOWNI-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
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)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid (CID 136958919) is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid is COc1c(N2CC(C)C(C(=O)O)C2)nc[nH]c1=O.
What is the InChIKey of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is YCLSGHMOMQOWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6-3-14(4-7(6)11(16)17)9-8(18-2)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 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.06, 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)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136958919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).