(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol

C6H13NO2 — CID 34177188

IUPAC(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol
SMILESOCCN1CC[C@H](O)C1
InChIInChI=1S/C6H13NO2/c8-4-3-7-2-1-6(9)5-7/h6,8-9H,1-5H2/t6-/m0/s1
InChIKeyJCFRZWVYDOFBHJ-LURJTMIESA-N
MW131.18 g/mol
LogP-0.95
Rot. Bonds2

About (3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol

(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol (PubChem CID 34177188) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol
PubChem CID34177188
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol
SMILESOCCN1CC[C@H](O)C1
InChIInChI=1S/C6H13NO2/c8-4-3-7-2-1-6(9)5-7/h6,8-9H,1-5H2/t6-/m0/s1
InChIKeyJCFRZWVYDOFBHJ-LURJTMIESA-N
XLogP-0.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-hydroxypropyl)pyrrolidin-3-ol
CID 68991646
1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-ol
CID 131963195
1-(2-aminoethyl)pyrrolidin-3-ol;ethane
CID 145171245
(3R)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892648
2-(3-methylpyrrolidin-1-yl)ethanol
CID 22706983
(3S)-1-(3,3,3-trichloropropyl)pyrrolidin-3-ol
CID 130693205
3-[(3R)-3-hydroxypyrrolidin-1-yl]propane-1,2-diol
CID 103857755
1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500
1-(3,3-dimethylbutyl)pyrrolidin-3-ol
CID 18768948
1-(9-bromononyl)pyrrolidin-3-ol
CID 105343751
1-ethylpyrrolidin-3-ol;hydrochloride
CID 174666123
(3R)-1-[2-(diethylamino)ethyl]pyrrolidin-3-ol
CID 115277606

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol (CID 34177188) is (3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol is OCCN1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol?
The InChIKey is JCFRZWVYDOFBHJ-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2/c8-4-3-7-2-1-6(9)5-7/h6,8-9H,1-5H2/t6-/m0/s1.
What are the key properties of (3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol?
(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol has a molecular weight of 131.18 g/mol, XLogP of -0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol is sourced from PubChem (CID 34177188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).