3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol

C7H15NO3 — CID 57486051

IUPAC3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol
SMILESOCC(O)CN1CCC(O)C1
InChIInChI=1S/C7H15NO3/c9-5-7(11)4-8-2-1-6(10)3-8/h6-7,9-11H,1-5H2
InChIKeyLVNHFJFINQPLPD-UHFFFAOYSA-N
MW161.20 g/mol
LogP-1.59
Rot. Bonds3

About 3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol

3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol (PubChem CID 57486051) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol
PubChem CID57486051
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol
SMILESOCC(O)CN1CCC(O)C1
InChIInChI=1S/C7H15NO3/c9-5-7(11)4-8-2-1-6(10)3-8/h6-7,9-11H,1-5H2
InChIKeyLVNHFJFINQPLPD-UHFFFAOYSA-N
XLogP-1.59
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol?
The IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol (CID 57486051) is 3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol is OCC(O)CN1CCC(O)C1.
What is the InChIKey of 3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol?
The InChIKey is LVNHFJFINQPLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c9-5-7(11)4-8-2-1-6(10)3-8/h6-7,9-11H,1-5H2.
What are the key properties of 3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol?
3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol has a molecular weight of 161.20 g/mol, XLogP of -1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol is sourced from PubChem (CID 57486051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).