(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride

C5H12ClNO2 — CID 121229170

IUPAC(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC[C@@H]1CNC[C@@H]1O
InChIInChI=1S/C5H11NO2.ClH/c7-3-4-1-6-2-5(4)8;/h4-8H,1-3H2;1H/t4-,5-;/m0./s1
InChIKeyVXKQZDCFEDEAAX-FHAQVOQBSA-N
MW153.61 g/mol
LogP-1.02
Rot. Bonds1

About (3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride

(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 121229170) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is (3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
PubChem CID121229170
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC[C@@H]1CNC[C@@H]1O
InChIInChI=1S/C5H11NO2.ClH/c7-3-4-1-6-2-5(4)8;/h4-8H,1-3H2;1H/t4-,5-;/m0./s1
InChIKeyVXKQZDCFEDEAAX-FHAQVOQBSA-N
XLogP-1.02
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-1.02
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-ol;hydrochloride?
The IUPAC name of (3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride (CID 121229170) is (3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride is Cl.OC[C@@H]1CNC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is VXKQZDCFEDEAAX-FHAQVOQBSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c7-3-4-1-6-2-5(4)8;/h4-8H,1-3H2;1H/t4-,5-;/m0./s1.
What are the key properties of (3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride?
(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of -1.02, 1 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-ol;hydrochloride is sourced from PubChem (CID 121229170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).