3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid

C11H16N4O3 — CID 137015906

IUPAC3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid
SMILESNc1c(N2CCC(CCC(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c12-9-10(13-6-14-11(9)18)15-4-3-7(5-15)1-2-8(16)17/h6-7H,1-5,12H2,(H,16,17)(H,13,14,18)
InChIKeyQCNGNZQIFWUKIS-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.04
Rot. Bonds4

About 3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid

3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid (PubChem CID 137015906) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid
PubChem CID137015906
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid
SMILESNc1c(N2CCC(CCC(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c12-9-10(13-6-14-11(9)18)15-4-3-7(5-15)1-2-8(16)17/h6-7H,1-5,12H2,(H,16,17)(H,13,14,18)
InChIKeyQCNGNZQIFWUKIS-UHFFFAOYSA-N
XLogP0.04
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid (CID 137015906) is 3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid is Nc1c(N2CCC(CCC(=O)O)C2)nc[nH]c1=O.
What is the InChIKey of 3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid?
The InChIKey is QCNGNZQIFWUKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-9-10(13-6-14-11(9)18)15-4-3-7(5-15)1-2-8(16)17/h6-7H,1-5,12H2,(H,16,17)(H,13,14,18).
What are the key properties of 3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid?
3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 137015906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).