[2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate

C17H29NO6 — CID 87760965

About [2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate

[2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate (PubChem CID 87760965) has the molecular formula C17H29NO6 and a molecular weight of 343.42 g/mol. Its IUPAC name is [2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate
• PubChem CID: 87760965
• Molecular Formula: C17H29NO6
• Molecular Weight: 343.42 g/mol
• Exact Mass: 343.20
• IUPAC Name: [2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCC(O)CN(CCC)CC(O)COC(=O)C(=C)C
• InChI: InChI=1S/C17H29NO6/c1-6-7-18(8-14(19)10-23-16(21)12(2)3)9-15(20)11-24-17(22)13(4)5/h14-15,19-20H,2,4,6-11H2,1,3,5H3
• InChIKey: CDNVVKFTVGNGOC-UHFFFAOYSA-N
• XLogP: 0.66
• TPSA: 96.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.42
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate?

The IUPAC name of [2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate (CID 87760965) is [2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate.

What is the SMILES notation for [2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate?

The canonical SMILES for [2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)CN(CCC)CC(O)COC(=O)C(=C)C.

What is the InChIKey of [2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate?

The InChIKey is CDNVVKFTVGNGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO6/c1-6-7-18(8-14(19)10-23-16(21)12(2)3)9-15(20)11-24-17(22)13(4)5/h14-15,19-20H,2,4,6-11H2,1,3,5H3.

What are the key properties of [2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate?

[2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate has a molecular weight of 343.42 g/mol, XLogP of 0.66, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 87760965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).