9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride

C20H32ClN5O2 — CID 154898184

About 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride

9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride (PubChem CID 154898184) has the molecular formula C20H32ClN5O2 and a molecular weight of 409.96 g/mol. Its IUPAC name is 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride.

Molecular Properties

• Compound Name: 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride
• PubChem CID: 154898184
• Molecular Formula: C20H32ClN5O2
• Molecular Weight: 409.96 g/mol
• Exact Mass: 409.22
• IUPAC Name: 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride
• SMILES: CCC[C@H](N)C(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1.Cl
• InChI: InChI=1S/C20H31N5O2.ClH/c1-3-4-17(21)19(27)24-9-7-20(8-10-24)6-5-18(26)25(14-20)13-16-12-22-15(2)11-23-16;/h11-12,17H,3-10,13-14,21H2,1-2H3;1H/t17-;/m0./s1
• InChIKey: IBLRJBIPTDDXPD-LMOVPXPDSA-N
• XLogP: 2.07
• TPSA: 92.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.96
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride?

The IUPAC name of 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride (CID 154898184) is 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride.

What is the SMILES notation for 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride?

The canonical SMILES for 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride is CCC[C@H](N)C(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1.Cl.

What is the InChIKey of 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride?

The InChIKey is IBLRJBIPTDDXPD-LMOVPXPDSA-N. The full InChI is InChI=1S/C20H31N5O2.ClH/c1-3-4-17(21)19(27)24-9-7-20(8-10-24)6-5-18(26)25(14-20)13-16-12-22-15(2)11-23-16;/h11-12,17H,3-10,13-14,21H2,1-2H3;1H/t17-;/m0./s1.

What are the key properties of 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride?

9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(2S)-2-aminopentanoyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride is sourced from PubChem (CID 154898184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).