(3R,4S)-pyrrolidine-3,4-diol

C4H9NO2 — CID 13329882

IUPAC(3R,4S)-pyrrolidine-3,4-diol
SMILESO[C@@H]1CNC[C@@H]1O
InChIInChI=1S/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2/t3-,4+
InChIKeyJCZPOYAMKJFOLA-ZXZARUISSA-N
MW103.12 g/mol
LogP-1.69
Rot. Bonds

About (3R,4S)-pyrrolidine-3,4-diol

(3R,4S)-pyrrolidine-3,4-diol (PubChem CID 13329882) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is (3R,4S)-pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-pyrrolidine-3,4-diol
PubChem CID13329882
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name(3R,4S)-pyrrolidine-3,4-diol
SMILESO[C@@H]1CNC[C@@H]1O
InChIInChI=1S/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2/t3-,4+
InChIKeyJCZPOYAMKJFOLA-ZXZARUISSA-N
XLogP-1.69
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-pyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-pyrrolidine-3,4-diol (CID 13329882) is (3R,4S)-pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-pyrrolidine-3,4-diol is O[C@@H]1CNC[C@@H]1O.
What is the InChIKey of (3R,4S)-pyrrolidine-3,4-diol?
The InChIKey is JCZPOYAMKJFOLA-ZXZARUISSA-N. The full InChI is InChI=1S/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2/t3-,4+.
What are the key properties of (3R,4S)-pyrrolidine-3,4-diol?
(3R,4S)-pyrrolidine-3,4-diol has a molecular weight of 103.12 g/mol, XLogP of -1.69, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-pyrrolidine-3,4-diol is sourced from PubChem (CID 13329882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).