(3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H26N4O2 — CID 95870202

About (3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95870202) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: (3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 95870202
• Molecular Formula: C17H26N4O2
• Molecular Weight: 318.42 g/mol
• Exact Mass: 318.21
• IUPAC Name: (3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: CCCN1CC2(CCN(c3nccnc3C)CC2)C[C@H]1C(=O)O
• InChI: InChI=1S/C17H26N4O2/c1-3-8-21-12-17(11-14(21)16(22)23)4-9-20(10-5-17)15-13(2)18-6-7-19-15/h6-7,14H,3-5,8-12H2,1-2H3,(H,22,23)/t14-/m0/s1
• InChIKey: XSULZILNMFGFMF-AWEZNQCLSA-N
• XLogP: 1.94
• TPSA: 69.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.42
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of (3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95870202) is (3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for (3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for (3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(c3nccnc3C)CC2)C[C@H]1C(=O)O.

What is the InChIKey of (3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is XSULZILNMFGFMF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-8-21-12-17(11-14(21)16(22)23)4-9-20(10-5-17)15-13(2)18-6-7-19-15/h6-7,14H,3-5,8-12H2,1-2H3,(H,22,23)/t14-/m0/s1.

What are the key properties of (3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

(3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 318.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95870202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).