(1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride

C6H14ClNO3 — CID 11252380

IUPAC(1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride
SMILESCl.OC[C@@H](O)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C6H13NO3.ClH/c8-3-6(10)4-1-7-2-5(4)9;/h4-10H,1-3H2;1H/t4-,5-,6-;/m1./s1
InChIKeyPYQISZCYIGXAPE-RWOHWRPJSA-N
MW183.63 g/mol
LogP-1.66
Rot. Bonds2

About (1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride

(1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride (PubChem CID 11252380) has the molecular formula C6H14ClNO3 and a molecular weight of 183.63 g/mol. Its IUPAC name is (1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride
PubChem CID11252380
Molecular FormulaC6H14ClNO3
Molecular Weight183.63 g/mol
Exact Mass183.07
IUPAC Name(1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride
SMILESCl.OC[C@@H](O)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C6H13NO3.ClH/c8-3-6(10)4-1-7-2-5(4)9;/h4-10H,1-3H2;1H/t4-,5-,6-;/m1./s1
InChIKeyPYQISZCYIGXAPE-RWOHWRPJSA-N
XLogP-1.66
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[(2R,3S)-3-hydroxyazetidin-2-yl]ethane-1,2-diol
CID 56651209
(3S,4R)-4-[(1S)-1,2-diaminoethyl]pyrrolidin-3-ol
CID 72705244
4-(1,2-diaminoethyl)pyrrolidin-3-ol
CID 90034039
1-(2-methylcyclohexyl)ethane-1,2-diol
CID 57009721
(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 121229170
piperidine-3,4,5-triol;hydrochloride
CID 73223230
(3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride
CID 67314821
(3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride
CID 90897311
(3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol
CID 10997956
(3R,5R)-piperidine-3,4,5-triol
CID 10464382
(3R,4S,5R,6R)-6-(hydroxymethyl)azepane-3,4,5-triol;hydrochloride
CID 56949706
(1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol
CID 55287714

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride?
The IUPAC name of (1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride (CID 11252380) is (1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride.
What is the SMILES notation for (1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride?
The canonical SMILES for (1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride is Cl.OC[C@@H](O)[C@@H]1CNC[C@H]1O.
What is the InChIKey of (1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride?
The InChIKey is PYQISZCYIGXAPE-RWOHWRPJSA-N. The full InChI is InChI=1S/C6H13NO3.ClH/c8-3-6(10)4-1-7-2-5(4)9;/h4-10H,1-3H2;1H/t4-,5-,6-;/m1./s1.
What are the key properties of (1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride?
(1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of -1.66, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]ethane-1,2-diol;hydrochloride is sourced from PubChem (CID 11252380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).