3-[2-(dimethylamino)ethyl]-4,5-dihydroxyoxolan-2-one

C8H15NO4 — CID 139933953

IUPAC3-[2-(dimethylamino)ethyl]-4,5-dihydroxyoxolan-2-one
SMILESCN(C)CCC1C(=O)OC(O)C1O
InChIInChI=1S/C8H15NO4/c1-9(2)4-3-5-6(10)8(12)13-7(5)11/h5-6,8,10,12H,3-4H2,1-2H3
InChIKeyAGLRDHNAWBHGGJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.21
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-4,5-dihydroxyoxolan-2-one

3-[2-(dimethylamino)ethyl]-4,5-dihydroxyoxolan-2-one (PubChem CID 139933953) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-4,5-dihydroxyoxolan-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-4,5-dihydroxyoxolan-2-one
PubChem CID139933953
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3-[2-(dimethylamino)ethyl]-4,5-dihydroxyoxolan-2-one
SMILESCN(C)CCC1C(=O)OC(O)C1O
InChIInChI=1S/C8H15NO4/c1-9(2)4-3-5-6(10)8(12)13-7(5)11/h5-6,8,10,12H,3-4H2,1-2H3
InChIKeyAGLRDHNAWBHGGJ-UHFFFAOYSA-N
XLogP-1.21
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-4,5-dihydroxyoxolan-2-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-4,5-dihydroxyoxolan-2-one (CID 139933953) is 3-[2-(dimethylamino)ethyl]-4,5-dihydroxyoxolan-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-4,5-dihydroxyoxolan-2-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-4,5-dihydroxyoxolan-2-one is CN(C)CCC1C(=O)OC(O)C1O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-4,5-dihydroxyoxolan-2-one?
The InChIKey is AGLRDHNAWBHGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-9(2)4-3-5-6(10)8(12)13-7(5)11/h5-6,8,10,12H,3-4H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-4,5-dihydroxyoxolan-2-one?
3-[2-(dimethylamino)ethyl]-4,5-dihydroxyoxolan-2-one has a molecular weight of 189.21 g/mol, XLogP of -1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-4,5-dihydroxyoxolan-2-one is sourced from PubChem (CID 139933953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).