3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol

C11H24N2O2 — CID 104840464

IUPAC3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol
SMILESCCC(N)C(CO)N1CCC(COC)C1
InChIInChI=1S/C11H24N2O2/c1-3-10(12)11(7-14)13-5-4-9(6-13)8-15-2/h9-11,14H,3-8,12H2,1-2H3
InChIKeyZYDXELJWDMEVLO-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.05
Rot. Bonds6

About 3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol

3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol (PubChem CID 104840464) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol
PubChem CID104840464
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol
SMILESCCC(N)C(CO)N1CCC(COC)C1
InChIInChI=1S/C11H24N2O2/c1-3-10(12)11(7-14)13-5-4-9(6-13)8-15-2/h9-11,14H,3-8,12H2,1-2H3
InChIKeyZYDXELJWDMEVLO-UHFFFAOYSA-N
XLogP0.05
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol 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-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol?
The IUPAC name of 3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol (CID 104840464) is 3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol.
What is the SMILES notation for 3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol?
The canonical SMILES for 3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol is CCC(N)C(CO)N1CCC(COC)C1.
What is the InChIKey of 3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol?
The InChIKey is ZYDXELJWDMEVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-10(12)11(7-14)13-5-4-9(6-13)8-15-2/h9-11,14H,3-8,12H2,1-2H3.
What are the key properties of 3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol?
3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol is sourced from PubChem (CID 104840464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).