[2-[(2-aminoacetyl)amino]-3-[2-(methylamino)acetyl]oxy-2-[[2-(methylamino)acetyl]oxymethyl]propyl] 2-(methylamino)acetate

C15H29N5O7 — CID 121432211

About [2-[(2-aminoacetyl)amino]-3-[2-(methylamino)acetyl]oxy-2-[[2-(methylamino)acetyl]oxymethyl]propyl] 2-(methylamino)acetate

[2-[(2-aminoacetyl)amino]-3-[2-(methylamino)acetyl]oxy-2-[[2-(methylamino)acetyl]oxymethyl]propyl] 2-(methylamino)acetate (PubChem CID 121432211) has the molecular formula C15H29N5O7 and a molecular weight of 391.43 g/mol. Its IUPAC name is [2-[(2-aminoacetyl)amino]-3-[2-(methylamino)acetyl]oxy-2-[[2-(methylamino)acetyl]oxymethyl]propyl] 2-(methylamino)acetate.

Molecular Properties

• Compound Name: [2-[(2-aminoacetyl)amino]-3-[2-(methylamino)acetyl]oxy-2-[[2-(methylamino)acetyl]oxymethyl]propyl] 2-(methylamino)acetate
• PubChem CID: 121432211
• Molecular Formula: C15H29N5O7
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.21
• IUPAC Name: [2-[(2-aminoacetyl)amino]-3-[2-(methylamino)acetyl]oxy-2-[[2-(methylamino)acetyl]oxymethyl]propyl] 2-(methylamino)acetate
• SMILES: CNCC(=O)OCC(COC(=O)CNC)(COC(=O)CNC)NC(=O)CN
• InChI: InChI=1S/C15H29N5O7/c1-17-5-12(22)25-8-15(20-11(21)4-16,9-26-13(23)6-18-2)10-27-14(24)7-19-3/h17-19H,4-10,16H2,1-3H3,(H,20,21)
• InChIKey: ADOFJGOREKTTJI-UHFFFAOYSA-N
• XLogP: -3.91
• TPSA: 170.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	-3.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[(2-aminoacetyl)amino]-3-[2-(methylamino)acetyl]oxy-2-[[2-(methylamino)acetyl]oxymethyl]propyl] 2-(methylamino)acetate?

The IUPAC name of [2-[(2-aminoacetyl)amino]-3-[2-(methylamino)acetyl]oxy-2-[[2-(methylamino)acetyl]oxymethyl]propyl] 2-(methylamino)acetate (CID 121432211) is [2-[(2-aminoacetyl)amino]-3-[2-(methylamino)acetyl]oxy-2-[[2-(methylamino)acetyl]oxymethyl]propyl] 2-(methylamino)acetate.

What is the SMILES notation for [2-[(2-aminoacetyl)amino]-3-[2-(methylamino)acetyl]oxy-2-[[2-(methylamino)acetyl]oxymethyl]propyl] 2-(methylamino)acetate?

The canonical SMILES for [2-[(2-aminoacetyl)amino]-3-[2-(methylamino)acetyl]oxy-2-[[2-(methylamino)acetyl]oxymethyl]propyl] 2-(methylamino)acetate is CNCC(=O)OCC(COC(=O)CNC)(COC(=O)CNC)NC(=O)CN.

What is the InChIKey of [2-[(2-aminoacetyl)amino]-3-[2-(methylamino)acetyl]oxy-2-[[2-(methylamino)acetyl]oxymethyl]propyl] 2-(methylamino)acetate?

The InChIKey is ADOFJGOREKTTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O7/c1-17-5-12(22)25-8-15(20-11(21)4-16,9-26-13(23)6-18-2)10-27-14(24)7-19-3/h17-19H,4-10,16H2,1-3H3,(H,20,21).

What are the key properties of [2-[(2-aminoacetyl)amino]-3-[2-(methylamino)acetyl]oxy-2-[[2-(methylamino)acetyl]oxymethyl]propyl] 2-(methylamino)acetate?

[2-[(2-aminoacetyl)amino]-3-[2-(methylamino)acetyl]oxy-2-[[2-(methylamino)acetyl]oxymethyl]propyl] 2-(methylamino)acetate has a molecular weight of 391.43 g/mol, XLogP of -3.91, 14 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2-aminoacetyl)amino]-3-[2-(methylamino)acetyl]oxy-2-[[2-(methylamino)acetyl]oxymethyl]propyl] 2-(methylamino)acetate is sourced from PubChem (CID 121432211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).