oxalic acid;piperidin-3-ol

C7H13NO5 — CID 162306197

IUPACoxalic acid;piperidin-3-ol
SMILESO=C(O)C(=O)O.OC1CCCNC1
InChIInChI=1S/C5H11NO.C2H2O4/c7-5-2-1-3-6-4-5;3-1(4)2(5)6/h5-7H,1-4H2;(H,3,4)(H,5,6)
InChIKeyZRYXDCDLVDJSRO-UHFFFAOYSA-N
MW191.18 g/mol
LogP-1.11
Rot. Bonds

About oxalic acid;piperidin-3-ol

oxalic acid;piperidin-3-ol (PubChem CID 162306197) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is oxalic acid;piperidin-3-ol.

Molecular Properties

Compound Nameoxalic acid;piperidin-3-ol
PubChem CID162306197
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Nameoxalic acid;piperidin-3-ol
SMILESO=C(O)C(=O)O.OC1CCCNC1
InChIInChI=1S/C5H11NO.C2H2O4/c7-5-2-1-3-6-4-5;3-1(4)2(5)6/h5-7H,1-4H2;(H,3,4)(H,5,6)
InChIKeyZRYXDCDLVDJSRO-UHFFFAOYSA-N
XLogP-1.11
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

piperidin-3-ol;dihydrochloride
CID 67374500
ethane;piperidin-3-ol;pyrrolidine
CID 143998212
piperidin-3-ol;propane-2,2-diol
CID 142962358
piperidin-3-ol;triethylborane
CID 159801081
pyrrolidine;(3S)-pyrrolidin-3-ol
CID 67190741
1,5-diazocan-3-ol
CID 71359715
but-2-enedioic acid;pyrrolidin-3-ol
CID 75080947
tert-butyl formate;(3R)-piperidin-3-ol
CID 158926595
2-aminoacetic acid;pyrrolidin-3-ol
CID 161124906
pyrrolidin-3-ol;yttrium
CID 171793712
pyrrolidin-3-ol;uranium
CID 143428396
2-piperidin-3-ylprop-2-enoic acid
CID 117266899

Frequently Asked Questions

What is the IUPAC name of oxalic acid;piperidin-3-ol?
The IUPAC name of oxalic acid;piperidin-3-ol (CID 162306197) is oxalic acid;piperidin-3-ol.
What is the SMILES notation for oxalic acid;piperidin-3-ol?
The canonical SMILES for oxalic acid;piperidin-3-ol is O=C(O)C(=O)O.OC1CCCNC1.
What is the InChIKey of oxalic acid;piperidin-3-ol?
The InChIKey is ZRYXDCDLVDJSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H2O4/c7-5-2-1-3-6-4-5;3-1(4)2(5)6/h5-7H,1-4H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;piperidin-3-ol?
oxalic acid;piperidin-3-ol has a molecular weight of 191.18 g/mol, XLogP of -1.11, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;piperidin-3-ol is sourced from PubChem (CID 162306197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).