[(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol

C6H13NO2 — CID 16726851

IUPAC[(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CNC[C@@H]1CO
InChIInChI=1S/C6H13NO2/c8-3-5-1-7-2-6(5)4-9/h5-9H,1-4H2/t5-,6+
InChIKeyZRERAZQFEFFXSJ-OLQVQODUSA-N
MW131.18 g/mol
LogP-1.19
Rot. Bonds2

About [(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol

[(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol (PubChem CID 16726851) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is [(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
PubChem CID16726851
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name[(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CNC[C@@H]1CO
InChIInChI=1S/C6H13NO2/c8-3-5-1-7-2-6(5)4-9/h5-9H,1-4H2/t5-,6+
InChIKeyZRERAZQFEFFXSJ-OLQVQODUSA-N
XLogP-1.19
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol (CID 16726851) is [(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol is OC[C@@H]1CNC[C@@H]1CO.
What is the InChIKey of [(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The InChIKey is ZRERAZQFEFFXSJ-OLQVQODUSA-N. The full InChI is InChI=1S/C6H13NO2/c8-3-5-1-7-2-6(5)4-9/h5-9H,1-4H2/t5-,6+.
What are the key properties of [(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
[(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol has a molecular weight of 131.18 g/mol, XLogP of -1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 16726851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).