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

C10H13N3O4 — CID 136958319

IUPAC1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCOc1c(N2CCCC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H13N3O4/c1-17-7-8(11-5-12-9(7)14)13-4-2-3-6(13)10(15)16/h5-6H,2-4H2,1H3,(H,15,16)(H,11,12,14)
InChIKeySWKXZLKPVWKTSG-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.17
Rot. Bonds3

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

1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 136958319) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID136958319
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCOc1c(N2CCCC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H13N3O4/c1-17-7-8(11-5-12-9(7)14)13-4-2-3-6(13)10(15)16/h5-6H,2-4H2,1H3,(H,15,16)(H,11,12,14)
InChIKeySWKXZLKPVWKTSG-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
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)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 136958319) is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is COc1c(N2CCCC2C(=O)O)nc[nH]c1=O.
What is the InChIKey of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is SWKXZLKPVWKTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-17-7-8(11-5-12-9(7)14)13-4-2-3-6(13)10(15)16/h5-6H,2-4H2,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.17, 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)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136958319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).