pyrrolidine-2,3,4-triol

C4H9NO3 — CID 73110172

IUPACpyrrolidine-2,3,4-triol
SMILESOC1CNC(O)C1O
InChIInChI=1S/C4H9NO3/c6-2-1-5-4(8)3(2)7/h2-8H,1H2
InChIKeyFNRDSSFSPPAIRA-UHFFFAOYSA-N
MW119.12 g/mol
LogP-2.37
Rot. Bonds

About pyrrolidine-2,3,4-triol

pyrrolidine-2,3,4-triol (PubChem CID 73110172) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is pyrrolidine-2,3,4-triol.

Molecular Properties

Compound Namepyrrolidine-2,3,4-triol
PubChem CID73110172
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Namepyrrolidine-2,3,4-triol
SMILESOC1CNC(O)C1O
InChIInChI=1S/C4H9NO3/c6-2-1-5-4(8)3(2)7/h2-8H,1H2
InChIKeyFNRDSSFSPPAIRA-UHFFFAOYSA-N
XLogP-2.37
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-2.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze pyrrolidine-2,3,4-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 pyrrolidine-2,3,4-triol?
The IUPAC name of pyrrolidine-2,3,4-triol (CID 73110172) is pyrrolidine-2,3,4-triol.
What is the SMILES notation for pyrrolidine-2,3,4-triol?
The canonical SMILES for pyrrolidine-2,3,4-triol is OC1CNC(O)C1O.
What is the InChIKey of pyrrolidine-2,3,4-triol?
The InChIKey is FNRDSSFSPPAIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c6-2-1-5-4(8)3(2)7/h2-8H,1H2.
What are the key properties of pyrrolidine-2,3,4-triol?
pyrrolidine-2,3,4-triol has a molecular weight of 119.12 g/mol, XLogP of -2.37, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-2,3,4-triol is sourced from PubChem (CID 73110172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).