9H-fluoren-9-ylmethyl N-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]-2-oxoethoxy]carbamate

C25H30N6O7 — CID 90385969

About 9H-fluoren-9-ylmethyl N-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]-2-oxoethoxy]carbamate

9H-fluoren-9-ylmethyl N-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]-2-oxoethoxy]carbamate (PubChem CID 90385969) has the molecular formula C25H30N6O7 and a molecular weight of 526.55 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]-2-oxoethoxy]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]-2-oxoethoxy]carbamate
• PubChem CID: 90385969
• Molecular Formula: C25H30N6O7
• Molecular Weight: 526.55 g/mol
• Exact Mass: 526.22
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]-2-oxoethoxy]carbamate
• SMILES: NCC(=O)NCC(=O)NCC(=O)NCCNC(=O)CONC(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C25H30N6O7/c26-11-21(32)29-13-23(34)30-12-22(33)27-9-10-28-24(35)15-38-31-25(36)37-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20H,9-15,26H2,(H,27,33)(H,28,35)(H,29,32)(H,30,34)(H,31,36)
• InChIKey: YEPWPDHSOVOKHL-UHFFFAOYSA-N
• XLogP: -1.12
• TPSA: 189.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.55
LogP ≤ 5	-1.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]-2-oxoethoxy]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]-2-oxoethoxy]carbamate (CID 90385969) is 9H-fluoren-9-ylmethyl N-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]-2-oxoethoxy]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]-2-oxoethoxy]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]-2-oxoethoxy]carbamate is NCC(=O)NCC(=O)NCC(=O)NCCNC(=O)CONC(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]-2-oxoethoxy]carbamate?

The InChIKey is YEPWPDHSOVOKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O7/c26-11-21(32)29-13-23(34)30-12-22(33)27-9-10-28-24(35)15-38-31-25(36)37-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20H,9-15,26H2,(H,27,33)(H,28,35)(H,29,32)(H,30,34)(H,31,36).

What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]-2-oxoethoxy]carbamate?

9H-fluoren-9-ylmethyl N-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]-2-oxoethoxy]carbamate has a molecular weight of 526.55 g/mol, XLogP of -1.12, 13 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]-2-oxoethoxy]carbamate is sourced from PubChem (CID 90385969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).