2-(hydroxymethyl)pyrrolidine-3,4-diol

C5H11NO3 — CID 1335

IUPAC2-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOCC1NCC(O)C1O
InChIInChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2
InChIKeyOQEBIHBLFRADNM-UHFFFAOYSA-N
MW133.15 g/mol
LogP-2.33
Rot. Bonds1

About 2-(hydroxymethyl)pyrrolidine-3,4-diol

2-(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 1335) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID1335
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name2-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOCC1NCC(O)C1O
InChIInChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2
InChIKeyOQEBIHBLFRADNM-UHFFFAOYSA-N
XLogP-2.33
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-2.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(hydroxymethyl)pyrrolidine-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

Related Compounds

3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)-
CID 446222
2,5-Dideoxy-2,5-Imino-D-Mannitol
CID 124702
1,4-Dideoxy-1,4-imino-d-arabinitol
CID 451991
(2S,3S,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 127716
2,5-Dideoxy-2,5-Imino-D-Glucitol
CID 11073745
2,5-dideoxy-2,5-imino-D-altritol
CID 10261406
2,5-Imino-2,5,6-Trideoxy-D-Manno-Heptitol
CID 10374978
2,5-dideoxy-2,5-imino-dl-glycero-D-manno-heptitol
CID 13005892
(2S,3S,4S,5R)-2-(Hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 12085983
2,5-Dideoxy-2,5-Imino-D-Fucitol
CID 21129912
Dideoxy-Imino-Lyxitol
CID 9882222
(3S,4S,5R)-2-Aminomethyl-5-hydroxymethyl-pyrrolidine-3,4-diol
CID 12103488

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)pyrrolidine-3,4-diol (CID 1335) is 2-(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)pyrrolidine-3,4-diol is OCC1NCC(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is OQEBIHBLFRADNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2.
What are the key properties of 2-(hydroxymethyl)pyrrolidine-3,4-diol?
2-(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 133.15 g/mol, XLogP of -2.33, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 1335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).