2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H26N4O3 — CID 56909976

IUPAC2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCN(c3cc(C4CC4)ncn3)CC2)CN1C(=O)C1CC1
InChIInChI=1S/C20H26N4O3/c25-18(14-3-4-14)24-11-20(10-16(24)19(26)27)5-7-23(8-6-20)17-9-15(13-1-2-13)21-12-22-17/h9,12-14,16H,1-8,10-11H2,(H,26,27)
InChIKeyBFOBQUYFAGTQFX-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.04
Rot. Bonds4

About 2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56909976) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56909976
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCN(c3cc(C4CC4)ncn3)CC2)CN1C(=O)C1CC1
InChIInChI=1S/C20H26N4O3/c25-18(14-3-4-14)24-11-20(10-16(24)19(26)27)5-7-23(8-6-20)17-9-15(13-1-2-13)21-12-22-17/h9,12-14,16H,1-8,10-11H2,(H,26,27)
InChIKeyBFOBQUYFAGTQFX-UHFFFAOYSA-N
XLogP2.04
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56909976) is 2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1CC2(CCN(c3cc(C4CC4)ncn3)CC2)CN1C(=O)C1CC1.
What is the InChIKey of 2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is BFOBQUYFAGTQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-18(14-3-4-14)24-11-20(10-16(24)19(26)27)5-7-23(8-6-20)17-9-15(13-1-2-13)21-12-22-17/h9,12-14,16H,1-8,10-11H2,(H,26,27).
What are the key properties of 2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonyl)-8-(6-cyclopropylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56909976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).