carboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid

C46H84N6O8 — CID 70529144

IUPACcarboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid
SMILESCN1C(C)(C)CC(C(C2CC(C)(C)N(C)C(C)(C)C2)(N(C(=O)O)C(=O)O)C(C2CC(C)(C)N(C)C(C)(C)C2)(C2CC(C)(C)N(C)C(C)(C)C2)N(C(=O)O)C(=O)O)CC1(C)C
InChIInChI=1S/C46H84N6O8/c1-37(2)21-29(22-38(3,4)47(37)17)45(51(33(53)54)34(55)56,30-23-39(5,6)48(18)40(7,8)24-30)46(52(35(57)58)36(59)60,31-25-41(9,10)49(19)42(11,12)26-31)32-27-43(13,14)50(20)44(15,16)28-32/h29-32H,21-28H2,1-20H3,(H,53,54)(H,55,56)(H,57,58)(H,59,60)
InChIKeyUVJHHAXPTIIRCV-UHFFFAOYSA-N
MW849.21 g/mol
LogP9.38
Rot. Bonds7

About carboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid

carboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid (PubChem CID 70529144) has the molecular formula C46H84N6O8 and a molecular weight of 849.21 g/mol. Its IUPAC name is carboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid.

Molecular Properties

Compound Namecarboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid
PubChem CID70529144
Molecular FormulaC46H84N6O8
Molecular Weight849.21 g/mol
Exact Mass848.64
IUPAC Namecarboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid
SMILESCN1C(C)(C)CC(C(C2CC(C)(C)N(C)C(C)(C)C2)(N(C(=O)O)C(=O)O)C(C2CC(C)(C)N(C)C(C)(C)C2)(C2CC(C)(C)N(C)C(C)(C)C2)N(C(=O)O)C(=O)O)CC1(C)C
InChIInChI=1S/C46H84N6O8/c1-37(2)21-29(22-38(3,4)47(37)17)45(51(33(53)54)34(55)56,30-23-39(5,6)48(18)40(7,8)24-30)46(52(35(57)58)36(59)60,31-25-41(9,10)49(19)42(11,12)26-31)32-27-43(13,14)50(20)44(15,16)28-32/h29-32H,21-28H2,1-20H3,(H,53,54)(H,55,56)(H,57,58)(H,59,60)
InChIKeyUVJHHAXPTIIRCV-UHFFFAOYSA-N
XLogP9.38
TPSA168.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.21
LogP ≤ 59.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze carboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid?
The IUPAC name of carboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid (CID 70529144) is carboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid.
What is the SMILES notation for carboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid?
The canonical SMILES for carboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid is CN1C(C)(C)CC(C(C2CC(C)(C)N(C)C(C)(C)C2)(N(C(=O)O)C(=O)O)C(C2CC(C)(C)N(C)C(C)(C)C2)(C2CC(C)(C)N(C)C(C)(C)C2)N(C(=O)O)C(=O)O)CC1(C)C.
What is the InChIKey of carboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid?
The InChIKey is UVJHHAXPTIIRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H84N6O8/c1-37(2)21-29(22-38(3,4)47(37)17)45(51(33(53)54)34(55)56,30-23-39(5,6)48(18)40(7,8)24-30)46(52(35(57)58)36(59)60,31-25-41(9,10)49(19)42(11,12)26-31)32-27-43(13,14)50(20)44(15,16)28-32/h29-32H,21-28H2,1-20H3,(H,53,54)(H,55,56)(H,57,58)(H,59,60).
What are the key properties of carboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid?
carboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid has a molecular weight of 849.21 g/mol, XLogP of 9.38, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy-[2-(dicarboxyamino)-1,1,2,2-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]carbamic acid is sourced from PubChem (CID 70529144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).