3-[2-hydroxyethyl(methyl)amino]oxolan-2-one

C7H13NO3 — CID 62020992

IUPAC3-[2-hydroxyethyl(methyl)amino]oxolan-2-one
SMILESCN(CCO)C1CCOC1=O
InChIInChI=1S/C7H13NO3/c1-8(3-4-9)6-2-5-11-7(6)10/h6,9H,2-5H2,1H3
InChIKeyFJQIIMHTACRAHT-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.77
Rot. Bonds3

About 3-[2-hydroxyethyl(methyl)amino]oxolan-2-one

3-[2-hydroxyethyl(methyl)amino]oxolan-2-one (PubChem CID 62020992) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]oxolan-2-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]oxolan-2-one
PubChem CID62020992
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-[2-hydroxyethyl(methyl)amino]oxolan-2-one
SMILESCN(CCO)C1CCOC1=O
InChIInChI=1S/C7H13NO3/c1-8(3-4-9)6-2-5-11-7(6)10/h6,9H,2-5H2,1H3
InChIKeyFJQIIMHTACRAHT-UHFFFAOYSA-N
XLogP-0.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]oxolan-2-one?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]oxolan-2-one (CID 62020992) is 3-[2-hydroxyethyl(methyl)amino]oxolan-2-one.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]oxolan-2-one?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]oxolan-2-one is CN(CCO)C1CCOC1=O.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]oxolan-2-one?
The InChIKey is FJQIIMHTACRAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-8(3-4-9)6-2-5-11-7(6)10/h6,9H,2-5H2,1H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]oxolan-2-one?
3-[2-hydroxyethyl(methyl)amino]oxolan-2-one has a molecular weight of 159.18 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]oxolan-2-one is sourced from PubChem (CID 62020992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).