4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol

C16H31NO3 — CID 79930021

IUPAC4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)OC(C)(C)C(CN2CCCC2CCCO)C1O
InChIInChI=1S/C16H31NO3/c1-15(2)13(14(19)16(3,4)20-15)11-17-9-5-7-12(17)8-6-10-18/h12-14,18-19H,5-11H2,1-4H3
InChIKeyVEJUYBPNTAVHDB-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.79
Rot. Bonds5

About 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol

4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79930021) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79930021
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)OC(C)(C)C(CN2CCCC2CCCO)C1O
InChIInChI=1S/C16H31NO3/c1-15(2)13(14(19)16(3,4)20-15)11-17-9-5-7-12(17)8-6-10-18/h12-14,18-19H,5-11H2,1-4H3
InChIKeyVEJUYBPNTAVHDB-UHFFFAOYSA-N
XLogP1.79
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol (CID 79930021) is 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol is CC1(C)OC(C)(C)C(CN2CCCC2CCCO)C1O.
What is the InChIKey of 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is VEJUYBPNTAVHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-15(2)13(14(19)16(3,4)20-15)11-17-9-5-7-12(17)8-6-10-18/h12-14,18-19H,5-11H2,1-4H3.
What are the key properties of 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 285.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79930021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).