formic acid;1-hydroxypiperidine-2,2,3,4-tetrol

C6H13NO7 — CID 174494050

IUPACformic acid;1-hydroxypiperidine-2,2,3,4-tetrol
SMILESO=CO.OC1CCN(O)C(O)(O)C1O
InChIInChI=1S/C5H11NO5.CH2O2/c7-3-1-2-6(11)5(9,10)4(3)8;2-1-3/h3-4,7-11H,1-2H2;1H,(H,2,3)
InChIKeyFLBKLEKQVURHOW-UHFFFAOYSA-N
MW211.17 g/mol
LogP-2.86
Rot. Bonds

About formic acid;1-hydroxypiperidine-2,2,3,4-tetrol

formic acid;1-hydroxypiperidine-2,2,3,4-tetrol (PubChem CID 174494050) has the molecular formula C6H13NO7 and a molecular weight of 211.17 g/mol. Its IUPAC name is formic acid;1-hydroxypiperidine-2,2,3,4-tetrol.

Molecular Properties

Compound Nameformic acid;1-hydroxypiperidine-2,2,3,4-tetrol
PubChem CID174494050
Molecular FormulaC6H13NO7
Molecular Weight211.17 g/mol
Exact Mass211.07
IUPAC Nameformic acid;1-hydroxypiperidine-2,2,3,4-tetrol
SMILESO=CO.OC1CCN(O)C(O)(O)C1O
InChIInChI=1S/C5H11NO5.CH2O2/c7-3-1-2-6(11)5(9,10)4(3)8;2-1-3/h3-4,7-11H,1-2H2;1H,(H,2,3)
InChIKeyFLBKLEKQVURHOW-UHFFFAOYSA-N
XLogP-2.86
TPSA141.69 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500211.17
LogP ≤ 5-2.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Hydroxypiperidine-2,2,3-triol
CID 54075796
1-Hydroxypiperidine-3,4,5-triol
CID 89313318
Formic acid;1-hydroxypiperidine-2,2,3-triol
CID 175265871
1-Oxidopiperidine-3,4,5-triol
CID 23377778
1-Hydroxypiperidine-2,2,3,4-tetrol
CID 174494051

Frequently Asked Questions

What is the IUPAC name of formic acid;1-hydroxypiperidine-2,2,3,4-tetrol?
The IUPAC name of formic acid;1-hydroxypiperidine-2,2,3,4-tetrol (CID 174494050) is formic acid;1-hydroxypiperidine-2,2,3,4-tetrol.
What is the SMILES notation for formic acid;1-hydroxypiperidine-2,2,3,4-tetrol?
The canonical SMILES for formic acid;1-hydroxypiperidine-2,2,3,4-tetrol is O=CO.OC1CCN(O)C(O)(O)C1O.
What is the InChIKey of formic acid;1-hydroxypiperidine-2,2,3,4-tetrol?
The InChIKey is FLBKLEKQVURHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5.CH2O2/c7-3-1-2-6(11)5(9,10)4(3)8;2-1-3/h3-4,7-11H,1-2H2;1H,(H,2,3).
What are the key properties of formic acid;1-hydroxypiperidine-2,2,3,4-tetrol?
formic acid;1-hydroxypiperidine-2,2,3,4-tetrol has a molecular weight of 211.17 g/mol, XLogP of -2.86, 0 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-hydroxypiperidine-2,2,3,4-tetrol is sourced from PubChem (CID 174494050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).