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

C10H13N3O4 — CID 136958390

IUPAC4-methoxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H13N3O4/c1-17-6-2-7(10(15)16)13(4-6)8-3-9(14)12-5-11-8/h3,5-7H,2,4H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyFPBIZOGYWPJKBV-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.55
Rot. Bonds3

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

4-methoxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 136958390) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-methoxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID136958390
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-methoxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H13N3O4/c1-17-6-2-7(10(15)16)13(4-6)8-3-9(14)12-5-11-8/h3,5-7H,2,4H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyFPBIZOGYWPJKBV-UHFFFAOYSA-N
XLogP-0.55
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 136958390) is 4-methoxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-methoxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is FPBIZOGYWPJKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-17-6-2-7(10(15)16)13(4-6)8-3-9(14)12-5-11-8/h3,5-7H,2,4H2,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 4-methoxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136958390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).