2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate

C62H80N4O20 — CID 170356529

About 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate

2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 170356529) has the molecular formula C62H80N4O20 and a molecular weight of 1201.33 g/mol. Its IUPAC name is 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate
• PubChem CID: 170356529
• Molecular Formula: C62H80N4O20
• Molecular Weight: 1201.33 g/mol
• Exact Mass: 1200.54
• IUPAC Name: 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate
• SMILES: COC(=O)CCOCCOCCOCCNC(=O)CN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.COC(=O)CCOCCOCCOCCNC(=O)CN(CC(=O)OC(C)(C)C)C(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C33H44N2O10.C29H36N2O10/c1-33(2,3)45-31(38)22-35(21-29(36)34-14-16-42-18-20-43-19-17-41-15-13-30(37)40-4)32(39)44-23-28-26-11-7-5-9-24(26)25-10-6-8-12-27(25)28;1-37-28(35)10-12-38-14-16-40-17-15-39-13-11-30-26(32)18-31(19-27(33)34)29(36)41-20-25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25/h5-12,28H,13-23H2,1-4H3,(H,34,36);2-9,25H,10-20H2,1H3,(H,30,32)(H,33,34)
• InChIKey: OHMSMXUJYCKWRM-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 288.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 36
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1201.33
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate?

The IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate (CID 170356529) is 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate.

What is the SMILES notation for 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate?

The canonical SMILES for 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate is COC(=O)CCOCCOCCOCCNC(=O)CN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.COC(=O)CCOCCOCCOCCNC(=O)CN(CC(=O)OC(C)(C)C)C(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate?

The InChIKey is OHMSMXUJYCKWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N2O10.C29H36N2O10/c1-33(2,3)45-31(38)22-35(21-29(36)34-14-16-42-18-20-43-19-17-41-15-13-30(37)40-4)32(39)44-23-28-26-11-7-5-9-24(26)25-10-6-8-12-27(25)28;1-37-28(35)10-12-38-14-16-40-17-15-39-13-11-30-26(32)18-31(19-27(33)34)29(36)41-20-25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25/h5-12,28H,13-23H2,1-4H3,(H,34,36);2-9,25H,10-20H2,1H3,(H,30,32)(H,33,34).

What are the key properties of 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate?

2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 1201.33 g/mol, XLogP of 5.36, 36 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetic acid;methyl 3-[2-[2-[2-[[2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 170356529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).