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

C5H11NO3 — CID 10844422

IUPAC(3S,4S)-3-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOC[C@@]1(O)CNC[C@@H]1O
InChIInChI=1S/C5H11NO3/c7-3-5(9)2-6-1-4(5)8/h4,6-9H,1-3H2/t4-,5-/m0/s1
InChIKeyVWMSLTGKBPRHSC-WHFBIAKZSA-N
MW133.15 g/mol
LogP-2.33
Rot. Bonds1

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

(3S,4S)-3-(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 10844422) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (3S,4S)-3-(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-3-(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID10844422
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(3S,4S)-3-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOC[C@@]1(O)CNC[C@@H]1O
InChIInChI=1S/C5H11NO3/c7-3-5(9)2-6-1-4(5)8/h4,6-9H,1-3H2/t4-,5-/m0/s1
InChIKeyVWMSLTGKBPRHSC-WHFBIAKZSA-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 (3S,4S)-3-(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (3S,4S)-3-(hydroxymethyl)pyrrolidine-3,4-diol (CID 10844422) is (3S,4S)-3-(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4S)-3-(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4S)-3-(hydroxymethyl)pyrrolidine-3,4-diol is OC[C@@]1(O)CNC[C@@H]1O.
What is the InChIKey of (3S,4S)-3-(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is VWMSLTGKBPRHSC-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H11NO3/c7-3-5(9)2-6-1-4(5)8/h4,6-9H,1-3H2/t4-,5-/m0/s1.
What are the key properties of (3S,4S)-3-(hydroxymethyl)pyrrolidine-3,4-diol?
(3S,4S)-3-(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 (3S,4S)-3-(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 10844422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).