methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate

C217H430N10O24 — CID 123508002

About methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate

methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate (PubChem CID 123508002) has the molecular formula C217H430N10O24 and a molecular weight of 3563.87 g/mol. Its IUPAC name is methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate.

Molecular Properties

• Compound Name: methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate
• PubChem CID: 123508002
• Molecular Formula: C217H430N10O24
• Molecular Weight: 3563.87 g/mol
• Exact Mass: 3561.27
• IUPAC Name: methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate
• SMILES: CCCCCCCCCCCCCCCOC(=O)CCN(CCCN(CCC(=O)OCCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCOC(=O)CCN(CCCN)CCC(=O)OCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCOC(=O)CCNCCCN(CCC(=O)OCCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCOC(=O)CCNCCCNCCC(=O)OCCCCCCCCCCCCCCC.COC(=O)CCNCCCN
• InChI: InChI=1S/C75H146N2O8.C57H112N2O6.2C39H78N2O4.C7H16N2O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-68-82-72(78)58-64-76(65-59-73(79)83-69-54-50-46-42-38-34-30-26-22-18-14-10-6-2)62-57-63-77(66-60-74(80)84-70-55-51-47-43-39-35-31-27-23-19-15-11-7-3)67-61-75(81)85-71-56-52-48-44-40-36-32-28-24-20-16-12-8-4;1-4-7-10-13-16-19-22-25-28-31-34-37-40-52-63-55(60)44-48-58-47-43-49-59(50-45-56(61)64-53-41-38-35-32-29-26-23-20-17-14-11-8-5-2)51-46-57(62)65-54-42-39-36-33-30-27-24-21-18-15-12-9-6-3;1-3-5-7-9-11-13-15-17-19-21-23-25-27-36-44-38(42)30-34-41(33-29-32-40)35-31-39(43)45-37-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-36-44-38(42)30-34-40-32-29-33-41-35-31-39(43)45-37-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-11-7(10)3-6-9-5-2-4-8/h5-71H2,1-4H3;58H,4-54H2,1-3H3;3-37,40H2,1-2H3;40-41H,3-37H2,1-2H3;9H,2-6,8H2,1H3
• InChIKey: RWHUIBHNKLXHFS-UHFFFAOYSA-N
• XLogP: 59.20
• TPSA: 428.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 208
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3563.87
LogP ≤ 5	59.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate?

The IUPAC name of methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate (CID 123508002) is methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate.

What is the SMILES notation for methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate?

The canonical SMILES for methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate is CCCCCCCCCCCCCCCOC(=O)CCN(CCCN(CCC(=O)OCCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCOC(=O)CCN(CCCN)CCC(=O)OCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCOC(=O)CCNCCCN(CCC(=O)OCCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCOC(=O)CCNCCCNCCC(=O)OCCCCCCCCCCCCCCC.COC(=O)CCNCCCN.

What is the InChIKey of methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate?

The InChIKey is RWHUIBHNKLXHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H146N2O8.C57H112N2O6.2C39H78N2O4.C7H16N2O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-68-82-72(78)58-64-76(65-59-73(79)83-69-54-50-46-42-38-34-30-26-22-18-14-10-6-2)62-57-63-77(66-60-74(80)84-70-55-51-47-43-39-35-31-27-23-19-15-11-7-3)67-61-75(81)85-71-56-52-48-44-40-36-32-28-24-20-16-12-8-4;1-4-7-10-13-16-19-22-25-28-31-34-37-40-52-63-55(60)44-48-58-47-43-49-59(50-45-56(61)64-53-41-38-35-32-29-26-23-20-17-14-11-8-5-2)51-46-57(62)65-54-42-39-36-33-30-27-24-21-18-15-12-9-6-3;1-3-5-7-9-11-13-15-17-19-21-23-25-27-36-44-38(42)30-34-41(33-29-32-40)35-31-39(43)45-37-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-36-44-38(42)30-34-40-32-29-33-41-35-31-39(43)45-37-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-11-7(10)3-6-9-5-2-4-8/h5-71H2,1-4H3;58H,4-54H2,1-3H3;3-37,40H2,1-2H3;40-41H,3-37H2,1-2H3;9H,2-6,8H2,1H3.

What are the key properties of methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate?

methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate has a molecular weight of 3563.87 g/mol, XLogP of 59.20, 208 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-(3-aminopropylamino)propanoate;pentadecyl 3-[3-aminopropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate;pentadecyl 3-[3-[bis(3-oxo-3-pentadecoxypropyl)amino]propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate;pentadecyl 3-[3-[(3-oxo-3-pentadecoxypropyl)amino]propylamino]propanoate is sourced from PubChem (CID 123508002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).