piperidine-1,2,6-tricarboxylic acid

C8H11NO6 — CID 22987898

IUPACpiperidine-1,2,6-tricarboxylic acid
SMILESO=C(O)C1CCCC(C(=O)O)N1C(=O)O
InChIInChI=1S/C8H11NO6/c10-6(11)4-2-1-3-5(7(12)13)9(4)8(14)15/h4-5H,1-3H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyQGTZWKPSXZYWOQ-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.06
Rot. Bonds2

About piperidine-1,2,6-tricarboxylic acid

piperidine-1,2,6-tricarboxylic acid (PubChem CID 22987898) has the molecular formula C8H11NO6 and a molecular weight of 217.18 g/mol. Its IUPAC name is piperidine-1,2,6-tricarboxylic acid.

Molecular Properties

Compound Namepiperidine-1,2,6-tricarboxylic acid
PubChem CID22987898
Molecular FormulaC8H11NO6
Molecular Weight217.18 g/mol
Exact Mass217.06
IUPAC Namepiperidine-1,2,6-tricarboxylic acid
SMILESO=C(O)C1CCCC(C(=O)O)N1C(=O)O
InChIInChI=1S/C8H11NO6/c10-6(11)4-2-1-3-5(7(12)13)9(4)8(14)15/h4-5H,1-3H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyQGTZWKPSXZYWOQ-UHFFFAOYSA-N
XLogP0.06
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze piperidine-1,2,6-tricarboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride
CID 141185672
(2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid
CID 124844959
(2R,6R)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid
CID 124844957
(2S)-1-chloropyrrolidine-2-carboxylic acid
CID 25009763
(2R,6S)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid
CID 762557
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
CID 175713287
CID 175713287
1-oxidopyrrolidine-2-carboxylic acid
CID 87113946
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
(2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate
CID 156642898
azane;1-hydroxypyrrolidine-2-carboxylic acid
CID 138563399
CID 66737893
CID 66737893

Frequently Asked Questions

What is the IUPAC name of piperidine-1,2,6-tricarboxylic acid?
The IUPAC name of piperidine-1,2,6-tricarboxylic acid (CID 22987898) is piperidine-1,2,6-tricarboxylic acid.
What is the SMILES notation for piperidine-1,2,6-tricarboxylic acid?
The canonical SMILES for piperidine-1,2,6-tricarboxylic acid is O=C(O)C1CCCC(C(=O)O)N1C(=O)O.
What is the InChIKey of piperidine-1,2,6-tricarboxylic acid?
The InChIKey is QGTZWKPSXZYWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO6/c10-6(11)4-2-1-3-5(7(12)13)9(4)8(14)15/h4-5H,1-3H2,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of piperidine-1,2,6-tricarboxylic acid?
piperidine-1,2,6-tricarboxylic acid has a molecular weight of 217.18 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1,2,6-tricarboxylic acid is sourced from PubChem (CID 22987898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).