formic acid;1-hydroxypiperidine-2,2,3-triol

C6H13NO6 — CID 175265871

IUPACformic acid;1-hydroxypiperidine-2,2,3-triol
SMILESO=CO.OC1CCCN(O)C1(O)O
InChIInChI=1S/C5H11NO4.CH2O2/c7-4-2-1-3-6(10)5(4,8)9;2-1-3/h4,7-10H,1-3H2;1H,(H,2,3)
InChIKeyBMTGWAPVQVFRKT-UHFFFAOYSA-N
MW195.17 g/mol
LogP-1.83
Rot. Bonds

About formic acid;1-hydroxypiperidine-2,2,3-triol

formic acid;1-hydroxypiperidine-2,2,3-triol (PubChem CID 175265871) has the molecular formula C6H13NO6 and a molecular weight of 195.17 g/mol. Its IUPAC name is formic acid;1-hydroxypiperidine-2,2,3-triol.

Molecular Properties

Compound Nameformic acid;1-hydroxypiperidine-2,2,3-triol
PubChem CID175265871
Molecular FormulaC6H13NO6
Molecular Weight195.17 g/mol
Exact Mass195.07
IUPAC Nameformic acid;1-hydroxypiperidine-2,2,3-triol
SMILESO=CO.OC1CCCN(O)C1(O)O
InChIInChI=1S/C5H11NO4.CH2O2/c7-4-2-1-3-6(10)5(4,8)9;2-1-3/h4,7-10H,1-3H2;1H,(H,2,3)
InChIKeyBMTGWAPVQVFRKT-UHFFFAOYSA-N
XLogP-1.83
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 5-1.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze formic acid;1-hydroxypiperidine-2,2,3-triol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of formic acid;1-hydroxypiperidine-2,2,3-triol?
The IUPAC name of formic acid;1-hydroxypiperidine-2,2,3-triol (CID 175265871) is formic acid;1-hydroxypiperidine-2,2,3-triol.
What is the SMILES notation for formic acid;1-hydroxypiperidine-2,2,3-triol?
The canonical SMILES for formic acid;1-hydroxypiperidine-2,2,3-triol is O=CO.OC1CCCN(O)C1(O)O.
What is the InChIKey of formic acid;1-hydroxypiperidine-2,2,3-triol?
The InChIKey is BMTGWAPVQVFRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4.CH2O2/c7-4-2-1-3-6(10)5(4,8)9;2-1-3/h4,7-10H,1-3H2;1H,(H,2,3).
What are the key properties of formic acid;1-hydroxypiperidine-2,2,3-triol?
formic acid;1-hydroxypiperidine-2,2,3-triol has a molecular weight of 195.17 g/mol, XLogP of -1.83, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-hydroxypiperidine-2,2,3-triol is sourced from PubChem (CID 175265871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).