8-(6-cyclopropylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C16H20N4O3 — CID 72934677

IUPAC8-(6-cyclopropylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESO=C1CC(C(=O)O)C2(CCN(c3cc(C4CC4)ncn3)CC2)N1
InChIInChI=1S/C16H20N4O3/c21-14-7-11(15(22)23)16(19-14)3-5-20(6-4-16)13-8-12(10-1-2-10)17-9-18-13/h8-11H,1-7H2,(H,19,21)(H,22,23)
InChIKeyYGYPIPZAMJCCEV-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.91
Rot. Bonds3

About 8-(6-cyclopropylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-(6-cyclopropylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72934677) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 8-(6-cyclopropylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-(6-cyclopropylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72934677
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name8-(6-cyclopropylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESO=C1CC(C(=O)O)C2(CCN(c3cc(C4CC4)ncn3)CC2)N1
InChIInChI=1S/C16H20N4O3/c21-14-7-11(15(22)23)16(19-14)3-5-20(6-4-16)13-8-12(10-1-2-10)17-9-18-13/h8-11H,1-7H2,(H,19,21)(H,22,23)
InChIKeyYGYPIPZAMJCCEV-UHFFFAOYSA-N
XLogP0.91
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(6-cyclopropylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-(6-cyclopropylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72934677) is 8-(6-cyclopropylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-(6-cyclopropylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-(6-cyclopropylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is O=C1CC(C(=O)O)C2(CCN(c3cc(C4CC4)ncn3)CC2)N1.
What is the InChIKey of 8-(6-cyclopropylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is YGYPIPZAMJCCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-14-7-11(15(22)23)16(19-14)3-5-20(6-4-16)13-8-12(10-1-2-10)17-9-18-13/h8-11H,1-7H2,(H,19,21)(H,22,23).
What are the key properties of 8-(6-cyclopropylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-(6-cyclopropylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-cyclopropylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72934677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).