(1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol

C6H13NO2 — CID 55287714

IUPAC(1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol
SMILESOC[C@H](O)[C@@H]1CCNC1
InChIInChI=1S/C6H13NO2/c8-4-6(9)5-1-2-7-3-5/h5-9H,1-4H2/t5-,6+/m1/s1
InChIKeyACGURHIYFDUBSV-RITPCOANSA-N
MW131.18 g/mol
LogP-1.05
Rot. Bonds2

About (1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol

(1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol (PubChem CID 55287714) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol
PubChem CID55287714
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol
SMILESOC[C@H](O)[C@@H]1CCNC1
InChIInChI=1S/C6H13NO2/c8-4-6(9)5-1-2-7-3-5/h5-9H,1-4H2/t5-,6+/m1/s1
InChIKeyACGURHIYFDUBSV-RITPCOANSA-N
XLogP-1.05
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 ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-[(3R)-pyrrolidin-3-yl]ethanol
CID 164654555
3-methyl-1-pyrrolidin-3-ylbutan-1-ol
CID 78158472
2-piperazin-1-yl-1-pyrrolidin-3-ylethanol
CID 115021800
2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid
CID 105443031
2-cyclopropyl-1-piperidin-4-ylethanol
CID 67828644
3,3,3-trifluoro-1-piperidin-4-ylpropan-1-ol
CID 83686081
1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol
CID 70599182
2-piperidin-4-ylpropane-1,3-diol
CID 67197232
(1R)-2-cyclopropyl-1-[(3S)-piperidin-3-yl]ethanol
CID 124570391
1-piperidin-4-ylpentan-1-ol
CID 19599407
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
2-cyclobutyl-1-piperidin-3-ylethanol
CID 105440851

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol (CID 55287714) is (1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol is OC[C@H](O)[C@@H]1CCNC1.
What is the InChIKey of (1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol?
The InChIKey is ACGURHIYFDUBSV-RITPCOANSA-N. The full InChI is InChI=1S/C6H13NO2/c8-4-6(9)5-1-2-7-3-5/h5-9H,1-4H2/t5-,6+/m1/s1.
What are the key properties of (1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol?
(1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol has a molecular weight of 131.18 g/mol, XLogP of -1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol is sourced from PubChem (CID 55287714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).