(2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol

C8H17NO3 — CID 129322236

IUPAC(2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol
SMILESCC(C)[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H17NO3/c1-4(2)6-8(12)7(11)5(3-10)9-6/h4-12H,3H2,1-2H3/t5-,6+,7-,8+/m1/s1
InChIKeyPDEWNZMIMYEOTC-CWKFCGSDSA-N
MW175.23 g/mol
LogP-1.30
Rot. Bonds2

About (2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol

(2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol (PubChem CID 129322236) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol
PubChem CID129322236
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol
SMILESCC(C)[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H17NO3/c1-4(2)6-8(12)7(11)5(3-10)9-6/h4-12H,3H2,1-2H3/t5-,6+,7-,8+/m1/s1
InChIKeyPDEWNZMIMYEOTC-CWKFCGSDSA-N
XLogP-1.30
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol 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 (2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol (CID 129322236) is (2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol is CC(C)[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol?
The InChIKey is PDEWNZMIMYEOTC-CWKFCGSDSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4(2)6-8(12)7(11)5(3-10)9-6/h4-12H,3H2,1-2H3/t5-,6+,7-,8+/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol?
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol has a molecular weight of 175.23 g/mol, XLogP of -1.30, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-(hydroxymethyl)-5-propan-2-ylpyrrolidine-3,4-diol is sourced from PubChem (CID 129322236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).