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

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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).