2-(cyclopropanecarbonyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H24N4O4 — CID 56902848

IUPAC2-(cyclopropanecarbonyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCOc1ccnc(N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)n1
InChIInChI=1S/C18H24N4O4/c1-26-14-4-7-19-17(20-14)21-8-5-18(6-9-21)10-13(16(24)25)22(11-18)15(23)12-2-3-12/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,24,25)
InChIKeyJEJRTJJAMNWMFY-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.17
Rot. Bonds4

About 2-(cyclopropanecarbonyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-(cyclopropanecarbonyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56902848) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56902848
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name2-(cyclopropanecarbonyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCOc1ccnc(N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)n1
InChIInChI=1S/C18H24N4O4/c1-26-14-4-7-19-17(20-14)21-8-5-18(6-9-21)10-13(16(24)25)22(11-18)15(23)12-2-3-12/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,24,25)
InChIKeyJEJRTJJAMNWMFY-UHFFFAOYSA-N
XLogP1.17
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-(cyclopropanecarbonyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56902848) is 2-(cyclopropanecarbonyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-(cyclopropanecarbonyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-(cyclopropanecarbonyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is COc1ccnc(N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)n1.
What is the InChIKey of 2-(cyclopropanecarbonyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is JEJRTJJAMNWMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-26-14-4-7-19-17(20-14)21-8-5-18(6-9-21)10-13(16(24)25)22(11-18)15(23)12-2-3-12/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,24,25).
What are the key properties of 2-(cyclopropanecarbonyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-(cyclopropanecarbonyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonyl)-8-(4-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56902848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).