N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride

C17H37Cl2N3O9 — CID 173310243

About N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride

N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride (PubChem CID 173310243) has the molecular formula C17H37Cl2N3O9 and a molecular weight of 498.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride
• PubChem CID: 173310243
• Molecular Formula: C17H37Cl2N3O9
• Molecular Weight: 498.40 g/mol
• Exact Mass: 497.19
• IUPAC Name: N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride
• SMILES: CC(OCCOCCC(=O)O)OCCOCCC(=O)O.CNCC(=O)NCCN.Cl.Cl
• InChI: InChI=1S/C12H22O8.C5H13N3O.2ClH/c1-10(19-8-6-17-4-2-11(13)14)20-9-7-18-5-3-12(15)16;1-7-4-5(9)8-3-2-6;;/h10H,2-9H2,1H3,(H,13,14)(H,15,16);7H,2-4,6H2,1H3,(H,8,9);2*1H
• InChIKey: XGLCAEUXWPVFHK-UHFFFAOYSA-N
• XLogP: -0.53
• TPSA: 178.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.40
LogP ≤ 5	-0.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride?

The IUPAC name of N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride (CID 173310243) is N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride.

What is the SMILES notation for N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride?

The canonical SMILES for N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride is CC(OCCOCCC(=O)O)OCCOCCC(=O)O.CNCC(=O)NCCN.Cl.Cl.

What is the InChIKey of N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride?

The InChIKey is XGLCAEUXWPVFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O8.C5H13N3O.2ClH/c1-10(19-8-6-17-4-2-11(13)14)20-9-7-18-5-3-12(15)16;1-7-4-5(9)8-3-2-6;;/h10H,2-9H2,1H3,(H,13,14)(H,15,16);7H,2-4,6H2,1H3,(H,8,9);2*1H.

What are the key properties of N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride?

N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride has a molecular weight of 498.40 g/mol, XLogP of -0.53, 18 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-2-(methylamino)acetamide;3-[2-[1-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid;dihydrochloride is sourced from PubChem (CID 173310243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).