[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol;hydrochloride

C6H14ClNO2 — CID 67022047

IUPAC[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1CC[C@H](CO)N1
InChIInChI=1S/C6H13NO2.ClH/c8-3-5-1-2-6(4-9)7-5;/h5-9H,1-4H2;1H/t5-,6+;
InChIKeyGZPSBGQXCUGMDE-KNCHESJLSA-N
MW167.64 g/mol
LogP-0.49
Rot. Bonds2

About [(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol;hydrochloride

[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 67022047) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is [(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol;hydrochloride
PubChem CID67022047
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1CC[C@H](CO)N1
InChIInChI=1S/C6H13NO2.ClH/c8-3-5-1-2-6(4-9)7-5;/h5-9H,1-4H2;1H/t5-,6+;
InChIKeyGZPSBGQXCUGMDE-KNCHESJLSA-N
XLogP-0.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol;hydrochloride (CID 67022047) is [(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol;hydrochloride is Cl.OC[C@@H]1CC[C@H](CO)N1.
What is the InChIKey of [(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is GZPSBGQXCUGMDE-KNCHESJLSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c8-3-5-1-2-6(4-9)7-5;/h5-9H,1-4H2;1H/t5-,6+;.
What are the key properties of [(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol;hydrochloride?
[(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of -0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-(hydroxymethyl)pyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 67022047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).