1-oxidopiperidine-3,4,5-triol

C5H10NO4- — CID 23377778

IUPAC1-oxidopiperidine-3,4,5-triol
SMILES[O-]N1CC(O)C(O)C(O)C1
InChIInChI=1S/C5H10NO4/c7-3-1-6(10)2-4(8)5(3)9/h3-5,7-9H,1-2H2/q-1
InChIKeyLBMJIZBZMVIZAV-UHFFFAOYSA-N
MW148.14 g/mol
LogP-2.12
Rot. Bonds

About 1-oxidopiperidine-3,4,5-triol

1-oxidopiperidine-3,4,5-triol (PubChem CID 23377778) has the molecular formula C5H10NO4- and a molecular weight of 148.14 g/mol. Its IUPAC name is 1-oxidopiperidine-3,4,5-triol.

Molecular Properties

Compound Name1-oxidopiperidine-3,4,5-triol
PubChem CID23377778
Molecular FormulaC5H10NO4-
Molecular Weight148.14 g/mol
Exact Mass148.06
IUPAC Name1-oxidopiperidine-3,4,5-triol
SMILES[O-]N1CC(O)C(O)C(O)C1
InChIInChI=1S/C5H10NO4/c7-3-1-6(10)2-4(8)5(3)9/h3-5,7-9H,1-2H2/q-1
InChIKeyLBMJIZBZMVIZAV-UHFFFAOYSA-N
XLogP-2.12
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 5-2.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-oxidopiperidine-3,4,5-triol?
The IUPAC name of 1-oxidopiperidine-3,4,5-triol (CID 23377778) is 1-oxidopiperidine-3,4,5-triol.
What is the SMILES notation for 1-oxidopiperidine-3,4,5-triol?
The canonical SMILES for 1-oxidopiperidine-3,4,5-triol is [O-]N1CC(O)C(O)C(O)C1.
What is the InChIKey of 1-oxidopiperidine-3,4,5-triol?
The InChIKey is LBMJIZBZMVIZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO4/c7-3-1-6(10)2-4(8)5(3)9/h3-5,7-9H,1-2H2/q-1.
What are the key properties of 1-oxidopiperidine-3,4,5-triol?
1-oxidopiperidine-3,4,5-triol has a molecular weight of 148.14 g/mol, XLogP of -2.12, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopiperidine-3,4,5-triol is sourced from PubChem (CID 23377778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).