(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol

C11H21NO3 — CID 79410973

IUPAC(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(CCCC2CCCO2)C[C@@H]1O
InChIInChI=1S/C11H21NO3/c13-10-7-12(8-11(10)14)5-1-3-9-4-2-6-15-9/h9-11,13-14H,1-8H2/t9?,10-,11+
InChIKeySVQWIOAXIVOERX-FGWVZKOKSA-N
MW215.29 g/mol
LogP-0.02
Rot. Bonds4

About (3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol

(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol (PubChem CID 79410973) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol
PubChem CID79410973
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(CCCC2CCCO2)C[C@@H]1O
InChIInChI=1S/C11H21NO3/c13-10-7-12(8-11(10)14)5-1-3-9-4-2-6-15-9/h9-11,13-14H,1-8H2/t9?,10-,11+
InChIKeySVQWIOAXIVOERX-FGWVZKOKSA-N
XLogP-0.02
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine
CID 115302471
2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol
CID 65166537
[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methanol
CID 65166006
1-[3-(oxolan-2-yl)propyl]piperidin-4-amine
CID 65159918
2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
CID 102936612
4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid
CID 65162197
[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methanamine
CID 65158902
3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine
CID 65165279
2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid
CID 79608135
1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 65165900
3-methyl-1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 114502307
1-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553923

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol (CID 79410973) is (3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol is O[C@@H]1CN(CCCC2CCCO2)C[C@@H]1O.
What is the InChIKey of (3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol?
The InChIKey is SVQWIOAXIVOERX-FGWVZKOKSA-N. The full InChI is InChI=1S/C11H21NO3/c13-10-7-12(8-11(10)14)5-1-3-9-4-2-6-15-9/h9-11,13-14H,1-8H2/t9?,10-,11+.
What are the key properties of (3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol?
(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol has a molecular weight of 215.29 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 79410973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).