butane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol

C18H31NO9 — CID 67948772

IUPACbutane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol
SMILESCN1C(C)(C)CC(O)CC1(C)C.O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C10H21NO.C8H10O8/c1-9(2)6-8(12)7-10(3,4)11(9)5;9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h8,12H,6-7H2,1-5H3;3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyXGPPWVKCLRFPKC-UHFFFAOYSA-N
MW405.44 g/mol
LogP0.97
Rot. Bonds7

About butane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol

butane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol (PubChem CID 67948772) has the molecular formula C18H31NO9 and a molecular weight of 405.44 g/mol. Its IUPAC name is butane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol.

Molecular Properties

Compound Namebutane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol
PubChem CID67948772
Molecular FormulaC18H31NO9
Molecular Weight405.44 g/mol
Exact Mass405.20
IUPAC Namebutane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol
SMILESCN1C(C)(C)CC(O)CC1(C)C.O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C10H21NO.C8H10O8/c1-9(2)6-8(12)7-10(3,4)11(9)5;9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h8,12H,6-7H2,1-5H3;3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyXGPPWVKCLRFPKC-UHFFFAOYSA-N
XLogP0.97
TPSA172.67 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 50.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze butane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol 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 butane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol?
The IUPAC name of butane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol (CID 67948772) is butane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol.
What is the SMILES notation for butane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol?
The canonical SMILES for butane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol is CN1C(C)(C)CC(O)CC1(C)C.O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O.
What is the InChIKey of butane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol?
The InChIKey is XGPPWVKCLRFPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C8H10O8/c1-9(2)6-8(12)7-10(3,4)11(9)5;9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h8,12H,6-7H2,1-5H3;3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16).
What are the key properties of butane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol?
butane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol has a molecular weight of 405.44 g/mol, XLogP of 0.97, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol is sourced from PubChem (CID 67948772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).