tert-butyl 2-[[2-[[3-methoxy-1-[2-[1-methoxy-3-[(2-methoxy-2-oxoethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate

C35H61N5O10 — CID 123476608

About tert-butyl 2-[[2-[[3-methoxy-1-[2-[1-methoxy-3-[(2-methoxy-2-oxoethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 2-[[2-[[3-methoxy-1-[2-[1-methoxy-3-[(2-methoxy-2-oxoethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 123476608) has the molecular formula C35H61N5O10 and a molecular weight of 711.90 g/mol. Its IUPAC name is tert-butyl 2-[[2-[[3-methoxy-1-[2-[1-methoxy-3-[(2-methoxy-2-oxoethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[[2-[[3-methoxy-1-[2-[1-methoxy-3-[(2-methoxy-2-oxoethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
• PubChem CID: 123476608
• Molecular Formula: C35H61N5O10
• Molecular Weight: 711.90 g/mol
• Exact Mass: 711.44
• IUPAC Name: tert-butyl 2-[[2-[[3-methoxy-1-[2-[1-methoxy-3-[(2-methoxy-2-oxoethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
• SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NCC(=O)OC)OC)N(C)C(=O)CNC(=O)C1CCCCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C35H61N5O10/c1-11-22(2)30(38(7)28(42)20-36-33(45)25-15-12-13-17-40(25)34(46)50-35(4,5)6)26(47-8)19-27(41)39-18-14-16-24(39)31(49-10)23(3)32(44)37-21-29(43)48-9/h22-26,30-31H,11-21H2,1-10H3,(H,36,45)(H,37,44)
• InChIKey: IMRQNWUXIZCVOY-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 173.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	711.90
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-[[3-methoxy-1-[2-[1-methoxy-3-[(2-methoxy-2-oxoethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 2-[[2-[[3-methoxy-1-[2-[1-methoxy-3-[(2-methoxy-2-oxoethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate (CID 123476608) is tert-butyl 2-[[2-[[3-methoxy-1-[2-[1-methoxy-3-[(2-methoxy-2-oxoethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 2-[[2-[[3-methoxy-1-[2-[1-methoxy-3-[(2-methoxy-2-oxoethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 2-[[2-[[3-methoxy-1-[2-[1-methoxy-3-[(2-methoxy-2-oxoethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate is CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NCC(=O)OC)OC)N(C)C(=O)CNC(=O)C1CCCCN1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl 2-[[2-[[3-methoxy-1-[2-[1-methoxy-3-[(2-methoxy-2-oxoethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?

The InChIKey is IMRQNWUXIZCVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H61N5O10/c1-11-22(2)30(38(7)28(42)20-36-33(45)25-15-12-13-17-40(25)34(46)50-35(4,5)6)26(47-8)19-27(41)39-18-14-16-24(39)31(49-10)23(3)32(44)37-21-29(43)48-9/h22-26,30-31H,11-21H2,1-10H3,(H,36,45)(H,37,44).

What are the key properties of tert-butyl 2-[[2-[[3-methoxy-1-[2-[1-methoxy-3-[(2-methoxy-2-oxoethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate?

tert-butyl 2-[[2-[[3-methoxy-1-[2-[1-methoxy-3-[(2-methoxy-2-oxoethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 711.90 g/mol, XLogP of 2.10, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[[2-[[3-methoxy-1-[2-[1-methoxy-3-[(2-methoxy-2-oxoethyl)amino]-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 123476608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).