1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-ethylpyrrolidine-2-carboxylic acid

C11H16N4O3 — CID 136972355

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H16N4O3/c1-2-11(10(17)18)4-3-5-15(11)8-7(12)9(16)14-6-13-8/h6H,2-5,12H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyCISHAECCXDSIJH-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.19
Rot. Bonds3

About 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-ethylpyrrolidine-2-carboxylic acid

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 136972355) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID136972355
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H16N4O3/c1-2-11(10(17)18)4-3-5-15(11)8-7(12)9(16)14-6-13-8/h6H,2-5,12H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyCISHAECCXDSIJH-UHFFFAOYSA-N
XLogP0.19
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.19
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)-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-ethylpyrrolidine-2-carboxylic acid (CID 136972355) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1c1nc[nH]c(=O)c1N.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is CISHAECCXDSIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-11(10(17)18)4-3-5-15(11)8-7(12)9(16)14-6-13-8/h6H,2-5,12H2,1H3,(H,17,18)(H,13,14,16).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-ethylpyrrolidine-2-carboxylic acid?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.19, 3 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)-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136972355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).