1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[1-[[2-hydroxy-3-(4-nitrosophenyl)propanoyl]amino]cyclopropanecarbonyl]pyrrolidine-2-carboxylate

C30H43N3O6 — CID 166812943

About 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[1-[[2-hydroxy-3-(4-nitrosophenyl)propanoyl]amino]cyclopropanecarbonyl]pyrrolidine-2-carboxylate

1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[1-[[2-hydroxy-3-(4-nitrosophenyl)propanoyl]amino]cyclopropanecarbonyl]pyrrolidine-2-carboxylate (PubChem CID 166812943) has the molecular formula C30H43N3O6 and a molecular weight of 541.69 g/mol. Its IUPAC name is 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[1-[[2-hydroxy-3-(4-nitrosophenyl)propanoyl]amino]cyclopropanecarbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[1-[[2-hydroxy-3-(4-nitrosophenyl)propanoyl]amino]cyclopropanecarbonyl]pyrrolidine-2-carboxylate
• PubChem CID: 166812943
• Molecular Formula: C30H43N3O6
• Molecular Weight: 541.69 g/mol
• Exact Mass: 541.32
• IUPAC Name: 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[1-[[2-hydroxy-3-(4-nitrosophenyl)propanoyl]amino]cyclopropanecarbonyl]pyrrolidine-2-carboxylate
• SMILES: CC(CC1CCC(C)(C)C1(C)C)OC(=O)C1CCCN1C(=O)C1(NC(=O)C(O)Cc2ccc(N=O)cc2)CC1
• InChI: InChI=1S/C30H43N3O6/c1-19(17-21-12-13-28(2,3)29(21,4)5)39-26(36)23-7-6-16-33(23)27(37)30(14-15-30)31-25(35)24(34)18-20-8-10-22(32-38)11-9-20/h8-11,19,21,23-24,34H,6-7,12-18H2,1-5H3,(H,31,35)
• InChIKey: VRJULPDUOMINBT-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 125.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.69
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[1-[[2-hydroxy-3-(4-nitrosophenyl)propanoyl]amino]cyclopropanecarbonyl]pyrrolidine-2-carboxylate?

The IUPAC name of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[1-[[2-hydroxy-3-(4-nitrosophenyl)propanoyl]amino]cyclopropanecarbonyl]pyrrolidine-2-carboxylate (CID 166812943) is 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[1-[[2-hydroxy-3-(4-nitrosophenyl)propanoyl]amino]cyclopropanecarbonyl]pyrrolidine-2-carboxylate.

What is the SMILES notation for 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[1-[[2-hydroxy-3-(4-nitrosophenyl)propanoyl]amino]cyclopropanecarbonyl]pyrrolidine-2-carboxylate?

The canonical SMILES for 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[1-[[2-hydroxy-3-(4-nitrosophenyl)propanoyl]amino]cyclopropanecarbonyl]pyrrolidine-2-carboxylate is CC(CC1CCC(C)(C)C1(C)C)OC(=O)C1CCCN1C(=O)C1(NC(=O)C(O)Cc2ccc(N=O)cc2)CC1.

What is the InChIKey of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[1-[[2-hydroxy-3-(4-nitrosophenyl)propanoyl]amino]cyclopropanecarbonyl]pyrrolidine-2-carboxylate?

The InChIKey is VRJULPDUOMINBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O6/c1-19(17-21-12-13-28(2,3)29(21,4)5)39-26(36)23-7-6-16-33(23)27(37)30(14-15-30)31-25(35)24(34)18-20-8-10-22(32-38)11-9-20/h8-11,19,21,23-24,34H,6-7,12-18H2,1-5H3,(H,31,35).

What are the key properties of 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[1-[[2-hydroxy-3-(4-nitrosophenyl)propanoyl]amino]cyclopropanecarbonyl]pyrrolidine-2-carboxylate?

1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[1-[[2-hydroxy-3-(4-nitrosophenyl)propanoyl]amino]cyclopropanecarbonyl]pyrrolidine-2-carboxylate has a molecular weight of 541.69 g/mol, XLogP of 4.41, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2,3,3-tetramethylcyclopentyl)propan-2-yl 1-[1-[[2-hydroxy-3-(4-nitrosophenyl)propanoyl]amino]cyclopropanecarbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 166812943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).