oxalic acid;piperidine-1-carboxylic acid

C8H13NO6 — CID 158853542

IUPACoxalic acid;piperidine-1-carboxylic acid
SMILESO=C(O)C(=O)O.O=C(O)N1CCCCC1
InChIInChI=1S/C6H11NO2.C2H2O4/c8-6(9)7-4-2-1-3-5-7;3-1(4)2(5)6/h1-5H2,(H,8,9);(H,3,4)(H,5,6)
InChIKeyIZTJJKZPDBUODZ-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.31
Rot. Bonds

About oxalic acid;piperidine-1-carboxylic acid

oxalic acid;piperidine-1-carboxylic acid (PubChem CID 158853542) has the molecular formula C8H13NO6 and a molecular weight of 219.19 g/mol. Its IUPAC name is oxalic acid;piperidine-1-carboxylic acid.

Molecular Properties

Compound Nameoxalic acid;piperidine-1-carboxylic acid
PubChem CID158853542
Molecular FormulaC8H13NO6
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Nameoxalic acid;piperidine-1-carboxylic acid
SMILESO=C(O)C(=O)O.O=C(O)N1CCCCC1
InChIInChI=1S/C6H11NO2.C2H2O4/c8-6(9)7-4-2-1-3-5-7;3-1(4)2(5)6/h1-5H2,(H,8,9);(H,3,4)(H,5,6)
InChIKeyIZTJJKZPDBUODZ-UHFFFAOYSA-N
XLogP0.31
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze oxalic acid;piperidine-1-carboxylic 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

N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide;oxalic acid
CID 14896493
2-Hydroxyacetic acid;1-piperidin-1-ylethanone
CID 17779901
1-Ethylpiperidine;oxalic acid
CID 17947281
1-Methylpiperidine;oxalic acid
CID 68812943
Oxalic acid;piperidine-1-carboxamide
CID 69952274
Oxalic acid;1-propylpiperidine
CID 157108548
1-Ethylpiperidine;oxalic acid
CID 157184471
Acetic acid;piperidine-1-carboxylic acid
CID 160876434
1,1-Dimethylpiperidin-1-ium;2-hydroxy-2-oxoacetate
CID 173028451
1-Butylpiperidine;oxalic acid
CID 174297882
Oxalic acid;1-prop-2-ynylpiperidine
CID 71318911

Frequently Asked Questions

What is the IUPAC name of oxalic acid;piperidine-1-carboxylic acid?
The IUPAC name of oxalic acid;piperidine-1-carboxylic acid (CID 158853542) is oxalic acid;piperidine-1-carboxylic acid.
What is the SMILES notation for oxalic acid;piperidine-1-carboxylic acid?
The canonical SMILES for oxalic acid;piperidine-1-carboxylic acid is O=C(O)C(=O)O.O=C(O)N1CCCCC1.
What is the InChIKey of oxalic acid;piperidine-1-carboxylic acid?
The InChIKey is IZTJJKZPDBUODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2H2O4/c8-6(9)7-4-2-1-3-5-7;3-1(4)2(5)6/h1-5H2,(H,8,9);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;piperidine-1-carboxylic acid?
oxalic acid;piperidine-1-carboxylic acid has a molecular weight of 219.19 g/mol, XLogP of 0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;piperidine-1-carboxylic acid is sourced from PubChem (CID 158853542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).