(2S,3R,4S)-pyrrolidine-2,3,4-triol

C4H9NO3 — CID 55299439

IUPAC(2S,3R,4S)-pyrrolidine-2,3,4-triol
SMILESO[C@H]1[C@H](O)NC[C@@H]1O
InChIInChI=1S/C4H9NO3/c6-2-1-5-4(8)3(2)7/h2-8H,1H2/t2-,3+,4-/m0/s1
InChIKeyFNRDSSFSPPAIRA-NUNKFHFFSA-N
MW119.12 g/mol
LogP-2.37
Rot. Bonds

About (2S,3R,4S)-pyrrolidine-2,3,4-triol

(2S,3R,4S)-pyrrolidine-2,3,4-triol (PubChem CID 55299439) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is (2S,3R,4S)-pyrrolidine-2,3,4-triol.

Molecular Properties

Compound Name(2S,3R,4S)-pyrrolidine-2,3,4-triol
PubChem CID55299439
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name(2S,3R,4S)-pyrrolidine-2,3,4-triol
SMILESO[C@H]1[C@H](O)NC[C@@H]1O
InChIInChI=1S/C4H9NO3/c6-2-1-5-4(8)3(2)7/h2-8H,1H2/t2-,3+,4-/m0/s1
InChIKeyFNRDSSFSPPAIRA-NUNKFHFFSA-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 (2S,3R,4S)-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 (2S,3R,4S)-pyrrolidine-2,3,4-triol?
The IUPAC name of (2S,3R,4S)-pyrrolidine-2,3,4-triol (CID 55299439) is (2S,3R,4S)-pyrrolidine-2,3,4-triol.
What is the SMILES notation for (2S,3R,4S)-pyrrolidine-2,3,4-triol?
The canonical SMILES for (2S,3R,4S)-pyrrolidine-2,3,4-triol is O[C@H]1[C@H](O)NC[C@@H]1O.
What is the InChIKey of (2S,3R,4S)-pyrrolidine-2,3,4-triol?
The InChIKey is FNRDSSFSPPAIRA-NUNKFHFFSA-N. The full InChI is InChI=1S/C4H9NO3/c6-2-1-5-4(8)3(2)7/h2-8H,1H2/t2-,3+,4-/m0/s1.
What are the key properties of (2S,3R,4S)-pyrrolidine-2,3,4-triol?
(2S,3R,4S)-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 (2S,3R,4S)-pyrrolidine-2,3,4-triol is sourced from PubChem (CID 55299439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).