1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol

C11H23NO4 — CID 106670331

IUPAC1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol
SMILESCCOC(CCN1CC(O)C(O)C1)OCC
InChIInChI=1S/C11H23NO4/c1-3-15-11(16-4-2)5-6-12-7-9(13)10(14)8-12/h9-11,13-14H,3-8H2,1-2H3
InChIKeyINFASMPDAGWDCP-UHFFFAOYSA-N
MW233.31 g/mol
LogP-0.19
Rot. Bonds7

About 1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol

1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol (PubChem CID 106670331) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol
PubChem CID106670331
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol
SMILESCCOC(CCN1CC(O)C(O)C1)OCC
InChIInChI=1S/C11H23NO4/c1-3-15-11(16-4-2)5-6-12-7-9(13)10(14)8-12/h9-11,13-14H,3-8H2,1-2H3
InChIKeyINFASMPDAGWDCP-UHFFFAOYSA-N
XLogP-0.19
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(3,3-diethoxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66391359
1-(3,3-diethoxypropyl)piperidin-3-ol
CID 63629790
1-(3,3-diethoxypropyl)-5-methylpiperidin-3-amine
CID 81090730
1-cyclopentyl-4-(3,3-diethoxypropyl)piperazine
CID 63629128
1-(3,3-diethoxypropyl)piperidin-3-amine
CID 63628953
1-(3,3-diethoxypropyl)-N,N-diethylpyrrolidin-3-amine
CID 63628433
2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide
CID 63628259
2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943736
1-(2-propoxyethyl)pyrrolidine-3,4-diol
CID 106671973
2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934926
[1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680812
(3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol
CID 83160990

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol (CID 106670331) is 1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol is CCOC(CCN1CC(O)C(O)C1)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol?
The InChIKey is INFASMPDAGWDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-3-15-11(16-4-2)5-6-12-7-9(13)10(14)8-12/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol?
1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol has a molecular weight of 233.31 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106670331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).