tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) (2R,3R)-butane-1,2,3,4-tetracarboxylate

C44H78N4O8 — CID 99655441

IUPACtetrakis(2,2,6,6-tetramethylpiperidin-4-yl) (2R,3R)-butane-1,2,3,4-tetracarboxylate
SMILESCC1(C)CC(OC(=O)C[C@@H](C(=O)OC2CC(C)(C)NC(C)(C)C2)[C@@H](CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C44H78N4O8/c1-37(2)19-27(20-38(3,4)45-37)53-33(49)17-31(35(51)55-29-23-41(9,10)47-42(11,12)24-29)32(36(52)56-30-25-43(13,14)48-44(15,16)26-30)18-34(50)54-28-21-39(5,6)46-40(7,8)22-28/h27-32,45-48H,17-26H2,1-16H3/t31-,32-/m1/s1
InChIKeyNZNAAUDJKMURFU-ROJLCIKYSA-N
MW791.13 g/mol
LogP6.41
Rot. Bonds11

About tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) (2R,3R)-butane-1,2,3,4-tetracarboxylate

tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) (2R,3R)-butane-1,2,3,4-tetracarboxylate (PubChem CID 99655441) has the molecular formula C44H78N4O8 and a molecular weight of 791.13 g/mol. Its IUPAC name is tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) (2R,3R)-butane-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Nametetrakis(2,2,6,6-tetramethylpiperidin-4-yl) (2R,3R)-butane-1,2,3,4-tetracarboxylate
PubChem CID99655441
Molecular FormulaC44H78N4O8
Molecular Weight791.13 g/mol
Exact Mass790.58
IUPAC Nametetrakis(2,2,6,6-tetramethylpiperidin-4-yl) (2R,3R)-butane-1,2,3,4-tetracarboxylate
SMILESCC1(C)CC(OC(=O)C[C@@H](C(=O)OC2CC(C)(C)NC(C)(C)C2)[C@@H](CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C44H78N4O8/c1-37(2)19-27(20-38(3,4)45-37)53-33(49)17-31(35(51)55-29-23-41(9,10)47-42(11,12)24-29)32(36(52)56-30-25-43(13,14)48-44(15,16)26-30)18-34(50)54-28-21-39(5,6)46-40(7,8)22-28/h27-32,45-48H,17-26H2,1-16H3/t31-,32-/m1/s1
InChIKeyNZNAAUDJKMURFU-ROJLCIKYSA-N
XLogP6.41
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500791.13
LogP ≤ 56.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) (2R,3R)-butane-1,2,3,4-tetracarboxylate?
The IUPAC name of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) (2R,3R)-butane-1,2,3,4-tetracarboxylate (CID 99655441) is tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) (2R,3R)-butane-1,2,3,4-tetracarboxylate.
What is the SMILES notation for tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) (2R,3R)-butane-1,2,3,4-tetracarboxylate?
The canonical SMILES for tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) (2R,3R)-butane-1,2,3,4-tetracarboxylate is CC1(C)CC(OC(=O)C[C@@H](C(=O)OC2CC(C)(C)NC(C)(C)C2)[C@@H](CC(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) (2R,3R)-butane-1,2,3,4-tetracarboxylate?
The InChIKey is NZNAAUDJKMURFU-ROJLCIKYSA-N. The full InChI is InChI=1S/C44H78N4O8/c1-37(2)19-27(20-38(3,4)45-37)53-33(49)17-31(35(51)55-29-23-41(9,10)47-42(11,12)24-29)32(36(52)56-30-25-43(13,14)48-44(15,16)26-30)18-34(50)54-28-21-39(5,6)46-40(7,8)22-28/h27-32,45-48H,17-26H2,1-16H3/t31-,32-/m1/s1.
What are the key properties of tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) (2R,3R)-butane-1,2,3,4-tetracarboxylate?
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) (2R,3R)-butane-1,2,3,4-tetracarboxylate has a molecular weight of 791.13 g/mol, XLogP of 6.41, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) (2R,3R)-butane-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 99655441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).