oxalic acid;piperidine-4-carboxylic acid

C8H13NO6 — CID 162248653

IUPACoxalic acid;piperidine-4-carboxylic acid
SMILESO=C(O)C(=O)O.O=C(O)C1CCNCC1
InChIInChI=1S/C6H11NO2.C2H2O4/c8-6(9)5-1-3-7-4-2-5;3-1(4)2(5)6/h5,7H,1-4H2,(H,8,9);(H,3,4)(H,5,6)
InChIKeyZXRMNBPGZNLIEV-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.77
Rot. Bonds1

About oxalic acid;piperidine-4-carboxylic acid

oxalic acid;piperidine-4-carboxylic acid (PubChem CID 162248653) has the molecular formula C8H13NO6 and a molecular weight of 219.19 g/mol. Its IUPAC name is oxalic acid;piperidine-4-carboxylic acid.

Molecular Properties

Compound Nameoxalic acid;piperidine-4-carboxylic acid
PubChem CID162248653
Molecular FormulaC8H13NO6
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Nameoxalic acid;piperidine-4-carboxylic acid
SMILESO=C(O)C(=O)O.O=C(O)C1CCNCC1
InChIInChI=1S/C6H11NO2.C2H2O4/c8-6(9)5-1-3-7-4-2-5;3-1(4)2(5)6/h5,7H,1-4H2,(H,8,9);(H,3,4)(H,5,6)
InChIKeyZXRMNBPGZNLIEV-UHFFFAOYSA-N
XLogP-0.77
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;piperidine-4-carboxylic acid?
The IUPAC name of oxalic acid;piperidine-4-carboxylic acid (CID 162248653) is oxalic acid;piperidine-4-carboxylic acid.
What is the SMILES notation for oxalic acid;piperidine-4-carboxylic acid?
The canonical SMILES for oxalic acid;piperidine-4-carboxylic acid is O=C(O)C(=O)O.O=C(O)C1CCNCC1.
What is the InChIKey of oxalic acid;piperidine-4-carboxylic acid?
The InChIKey is ZXRMNBPGZNLIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2H2O4/c8-6(9)5-1-3-7-4-2-5;3-1(4)2(5)6/h5,7H,1-4H2,(H,8,9);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;piperidine-4-carboxylic acid?
oxalic acid;piperidine-4-carboxylic acid has a molecular weight of 219.19 g/mol, XLogP of -0.77, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;piperidine-4-carboxylic acid is sourced from PubChem (CID 162248653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).