4-oxo-4-(3-oxo-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-7-yl)butanoic acid

C15H18N4O4 — CID 134077512

IUPAC4-oxo-4-(3-oxo-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-7-yl)butanoic acid
SMILESO=C(O)CCC(=O)N1CCC2(CC(=O)N(c3cncnc3)C2)C1
InChIInChI=1S/C15H18N4O4/c20-12(1-2-14(22)23)18-4-3-15(8-18)5-13(21)19(9-15)11-6-16-10-17-7-11/h6-7,10H,1-5,8-9H2,(H,22,23)
InChIKeyOUAFTHWICZMGLQ-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.30
Rot. Bonds4

About 4-oxo-4-(3-oxo-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-7-yl)butanoic acid

4-oxo-4-(3-oxo-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-7-yl)butanoic acid (PubChem CID 134077512) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-oxo-4-(3-oxo-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-7-yl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(3-oxo-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-7-yl)butanoic acid
PubChem CID134077512
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name4-oxo-4-(3-oxo-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-7-yl)butanoic acid
SMILESO=C(O)CCC(=O)N1CCC2(CC(=O)N(c3cncnc3)C2)C1
InChIInChI=1S/C15H18N4O4/c20-12(1-2-14(22)23)18-4-3-15(8-18)5-13(21)19(9-15)11-6-16-10-17-7-11/h6-7,10H,1-5,8-9H2,(H,22,23)
InChIKeyOUAFTHWICZMGLQ-UHFFFAOYSA-N
XLogP0.30
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(3-oxo-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-7-yl)butanoic acid?
The IUPAC name of 4-oxo-4-(3-oxo-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-7-yl)butanoic acid (CID 134077512) is 4-oxo-4-(3-oxo-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-7-yl)butanoic acid.
What is the SMILES notation for 4-oxo-4-(3-oxo-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-7-yl)butanoic acid?
The canonical SMILES for 4-oxo-4-(3-oxo-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-7-yl)butanoic acid is O=C(O)CCC(=O)N1CCC2(CC(=O)N(c3cncnc3)C2)C1.
What is the InChIKey of 4-oxo-4-(3-oxo-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-7-yl)butanoic acid?
The InChIKey is OUAFTHWICZMGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c20-12(1-2-14(22)23)18-4-3-15(8-18)5-13(21)19(9-15)11-6-16-10-17-7-11/h6-7,10H,1-5,8-9H2,(H,22,23).
What are the key properties of 4-oxo-4-(3-oxo-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-7-yl)butanoic acid?
4-oxo-4-(3-oxo-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-7-yl)butanoic acid has a molecular weight of 318.33 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(3-oxo-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-7-yl)butanoic acid is sourced from PubChem (CID 134077512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).