3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol

C11H24N2O3 — CID 103532598

IUPAC3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol
SMILESCCC(N)C(CO)N1CC(OC)C(OC)C1
InChIInChI=1S/C11H24N2O3/c1-4-8(12)9(7-14)13-5-10(15-2)11(6-13)16-3/h8-11,14H,4-7,12H2,1-3H3
InChIKeyATFOPLBBEYMXAZ-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.57
Rot. Bonds6

About 3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol

3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol (PubChem CID 103532598) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol
PubChem CID103532598
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol
SMILESCCC(N)C(CO)N1CC(OC)C(OC)C1
InChIInChI=1S/C11H24N2O3/c1-4-8(12)9(7-14)13-5-10(15-2)11(6-13)16-3/h8-11,14H,4-7,12H2,1-3H3
InChIKeyATFOPLBBEYMXAZ-UHFFFAOYSA-N
XLogP-0.57
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol?
The IUPAC name of 3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol (CID 103532598) is 3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol.
What is the SMILES notation for 3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol?
The canonical SMILES for 3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol is CCC(N)C(CO)N1CC(OC)C(OC)C1.
What is the InChIKey of 3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol?
The InChIKey is ATFOPLBBEYMXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-4-8(12)9(7-14)13-5-10(15-2)11(6-13)16-3/h8-11,14H,4-7,12H2,1-3H3.
What are the key properties of 3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol?
3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol has a molecular weight of 232.32 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-ol is sourced from PubChem (CID 103532598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).