1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C9H11N3O3 — CID 136958828

IUPAC1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C9H11N3O3/c13-8-3-7(10-5-11-8)12-2-1-6(4-12)9(14)15/h3,5-6H,1-2,4H2,(H,14,15)(H,10,11,13)
InChIKeyGCOAFLNBVAHPGB-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.32
Rot. Bonds2

About 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 136958828) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID136958828
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C9H11N3O3/c13-8-3-7(10-5-11-8)12-2-1-6(4-12)9(14)15/h3,5-6H,1-2,4H2,(H,14,15)(H,10,11,13)
InChIKeyGCOAFLNBVAHPGB-UHFFFAOYSA-N
XLogP-0.32
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 136958828) is 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is GCOAFLNBVAHPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-8-3-7(10-5-11-8)12-2-1-6(4-12)9(14)15/h3,5-6H,1-2,4H2,(H,14,15)(H,10,11,13).
What are the key properties of 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136958828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).