1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid

C9H10N4O4 — CID 168692049

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNc1c(N2CC(C(=O)O)CC2=O)nc[nH]c1=O
InChIInChI=1S/C9H10N4O4/c10-6-7(11-3-12-8(6)15)13-2-4(9(16)17)1-5(13)14/h3-4H,1-2,10H2,(H,16,17)(H,11,12,15)
InChIKeyBBKBPXMPYKGDKD-UHFFFAOYSA-N
MW238.20 g/mol
LogP-1.21
Rot. Bonds2

About 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168692049) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168692049
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNc1c(N2CC(C(=O)O)CC2=O)nc[nH]c1=O
InChIInChI=1S/C9H10N4O4/c10-6-7(11-3-12-8(6)15)13-2-4(9(16)17)1-5(13)14/h3-4H,1-2,10H2,(H,16,17)(H,11,12,15)
InChIKeyBBKBPXMPYKGDKD-UHFFFAOYSA-N
XLogP-1.21
TPSA129.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 168692049) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid is Nc1c(N2CC(C(=O)O)CC2=O)nc[nH]c1=O.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is BBKBPXMPYKGDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4/c10-6-7(11-3-12-8(6)15)13-2-4(9(16)17)1-5(13)14/h3-4H,1-2,10H2,(H,16,17)(H,11,12,15).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 238.20 g/mol, XLogP of -1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168692049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).