1-hydroxypiperidine-2,2,3-triol

C5H11NO4 — CID 54075796

IUPAC1-hydroxypiperidine-2,2,3-triol
SMILESOC1CCCN(O)C1(O)O
InChIInChI=1S/C5H11NO4/c7-4-2-1-3-6(10)5(4,8)9/h4,7-10H,1-3H2
InChIKeyMJOSQKREOFDVAL-UHFFFAOYSA-N
MW149.15 g/mol
LogP-1.53
Rot. Bonds

About 1-hydroxypiperidine-2,2,3-triol

1-hydroxypiperidine-2,2,3-triol (PubChem CID 54075796) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is 1-hydroxypiperidine-2,2,3-triol.

Molecular Properties

Compound Name1-hydroxypiperidine-2,2,3-triol
PubChem CID54075796
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name1-hydroxypiperidine-2,2,3-triol
SMILESOC1CCCN(O)C1(O)O
InChIInChI=1S/C5H11NO4/c7-4-2-1-3-6(10)5(4,8)9/h4,7-10H,1-3H2
InChIKeyMJOSQKREOFDVAL-UHFFFAOYSA-N
XLogP-1.53
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypiperidine-2,2,3-triol?
The IUPAC name of 1-hydroxypiperidine-2,2,3-triol (CID 54075796) is 1-hydroxypiperidine-2,2,3-triol.
What is the SMILES notation for 1-hydroxypiperidine-2,2,3-triol?
The canonical SMILES for 1-hydroxypiperidine-2,2,3-triol is OC1CCCN(O)C1(O)O.
What is the InChIKey of 1-hydroxypiperidine-2,2,3-triol?
The InChIKey is MJOSQKREOFDVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c7-4-2-1-3-6(10)5(4,8)9/h4,7-10H,1-3H2.
What are the key properties of 1-hydroxypiperidine-2,2,3-triol?
1-hydroxypiperidine-2,2,3-triol has a molecular weight of 149.15 g/mol, XLogP of -1.53, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypiperidine-2,2,3-triol is sourced from PubChem (CID 54075796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).