tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate

C25H44N6O6 — CID 166894911

About tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate (PubChem CID 166894911) has the molecular formula C25H44N6O6 and a molecular weight of 524.66 g/mol. Its IUPAC name is tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate
• PubChem CID: 166894911
• Molecular Formula: C25H44N6O6
• Molecular Weight: 524.66 g/mol
• Exact Mass: 524.33
• IUPAC Name: tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate
• SMILES: CNCC(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)CNC(=O)OC(C)(C)C)C2
• InChI: InChI=1S/C25H44N6O6/c1-17(2)11-18(29-19(32)12-26-6)22(35)27-13-20(33)30-9-7-25(8-10-30)15-31(16-25)21(34)14-28-23(36)37-24(3,4)5/h17-18,26H,7-16H2,1-6H3,(H,27,35)(H,28,36)(H,29,32)
• InChIKey: BLQJMUSXJKFKAD-UHFFFAOYSA-N
• XLogP: -0.17
• TPSA: 149.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.66
LogP ≤ 5	-0.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate (CID 166894911) is tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate is CNCC(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)CNC(=O)OC(C)(C)C)C2.

What is the InChIKey of tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate?

The InChIKey is BLQJMUSXJKFKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N6O6/c1-17(2)11-18(29-19(32)12-26-6)22(35)27-13-20(33)30-9-7-25(8-10-30)15-31(16-25)21(34)14-28-23(36)37-24(3,4)5/h17-18,26H,7-16H2,1-6H3,(H,27,35)(H,28,36)(H,29,32).

What are the key properties of tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate?

tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate has a molecular weight of 524.66 g/mol, XLogP of -0.17, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 166894911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).