9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

C20H29N3O3 — CID 97122526

About 9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97122526) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97122526
• Molecular Formula: C20H29N3O3
• Molecular Weight: 359.47 g/mol
• Exact Mass: 359.22
• IUPAC Name: 9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: CC[C@@H](O)C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1
• InChI: InChI=1S/C20H29N3O3/c1-2-17(24)19(26)22-12-8-20(9-13-22)7-5-18(25)23(15-20)11-6-16-4-3-10-21-14-16/h3-4,10,14,17,24H,2,5-9,11-13,15H2,1H3/t17-/m1/s1
• InChIKey: JRBPCUHYJLEEEP-QGZVFWFLSA-N
• XLogP: 1.63
• TPSA: 73.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.47
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97122526) is 9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is CC[C@@H](O)C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1.

What is the InChIKey of 9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is JRBPCUHYJLEEEP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-17(24)19(26)22-12-8-20(9-13-22)7-5-18(25)23(15-20)11-6-16-4-3-10-21-14-16/h3-4,10,14,17,24H,2,5-9,11-13,15H2,1H3/t17-/m1/s1.

What are the key properties of 9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?

9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 359.47 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(2R)-2-hydroxybutanoyl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97122526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).