2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride

C15H25ClN4O4 — CID 120947256

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride (PubChem CID 120947256) has the molecular formula C15H25ClN4O4 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
• PubChem CID: 120947256
• Molecular Formula: C15H25ClN4O4
• Molecular Weight: 360.84 g/mol
• Exact Mass: 360.16
• IUPAC Name: 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
• SMILES: CC(C(=O)NCC1CNCC1O)N1C(=O)NC2(CCCC2)C1=O.Cl
• InChI: InChI=1S/C15H24N4O4.ClH/c1-9(12(21)17-7-10-6-16-8-11(10)20)19-13(22)15(18-14(19)23)4-2-3-5-15;/h9-11,16,20H,2-8H2,1H3,(H,17,21)(H,18,23);1H
• InChIKey: BXTJYYJCVZWNSL-UHFFFAOYSA-N
• XLogP: -0.64
• TPSA: 110.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.84
LogP ≤ 5	-0.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride?

The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride (CID 120947256) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride.

What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride?

The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride is CC(C(=O)NCC1CNCC1O)N1C(=O)NC2(CCCC2)C1=O.Cl.

What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride?

The InChIKey is BXTJYYJCVZWNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4.ClH/c1-9(12(21)17-7-10-6-16-8-11(10)20)19-13(22)15(18-14(19)23)4-2-3-5-15;/h9-11,16,20H,2-8H2,1H3,(H,17,21)(H,18,23);1H.

What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride?

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride has a molecular weight of 360.84 g/mol, XLogP of -0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 120947256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).