4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol

C7H16N2O2 — CID 19969850

IUPAC4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol
SMILESCN(CCO)C1CNCC1O
InChIInChI=1S/C7H16N2O2/c1-9(2-3-10)6-4-8-5-7(6)11/h6-8,10-11H,2-5H2,1H3
InChIKeyFHYJATJJBVWMHX-UHFFFAOYSA-N
MW160.22 g/mol
LogP-1.76
Rot. Bonds3

About 4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol

4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol (PubChem CID 19969850) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol
PubChem CID19969850
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol
SMILESCN(CCO)C1CNCC1O
InChIInChI=1S/C7H16N2O2/c1-9(2-3-10)6-4-8-5-7(6)11/h6-8,10-11H,2-5H2,1H3
InChIKeyFHYJATJJBVWMHX-UHFFFAOYSA-N
XLogP-1.76
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol?
The IUPAC name of 4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol (CID 19969850) is 4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol.
What is the SMILES notation for 4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol?
The canonical SMILES for 4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol is CN(CCO)C1CNCC1O.
What is the InChIKey of 4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol?
The InChIKey is FHYJATJJBVWMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-9(2-3-10)6-4-8-5-7(6)11/h6-8,10-11H,2-5H2,1H3.
What are the key properties of 4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol?
4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol has a molecular weight of 160.22 g/mol, XLogP of -1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(methyl)amino]pyrrolidin-3-ol is sourced from PubChem (CID 19969850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).