2-amino-3-pyrrolidin-1-ylpropan-1-ol;dihydrochloride

C7H18Cl2N2O — CID 119031377

IUPAC2-amino-3-pyrrolidin-1-ylpropan-1-ol;dihydrochloride
SMILESCl.Cl.NC(CO)CN1CCCC1
InChIInChI=1S/C7H16N2O.2ClH/c8-7(6-10)5-9-3-1-2-4-9;;/h7,10H,1-6,8H2;2*1H
InChIKeyRFARTPYPIJVLAE-UHFFFAOYSA-N
MW217.14 g/mol
LogP0.25
Rot. Bonds3

About 2-amino-3-pyrrolidin-1-ylpropan-1-ol;dihydrochloride

2-amino-3-pyrrolidin-1-ylpropan-1-ol;dihydrochloride (PubChem CID 119031377) has the molecular formula C7H18Cl2N2O and a molecular weight of 217.14 g/mol. Its IUPAC name is 2-amino-3-pyrrolidin-1-ylpropan-1-ol;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-pyrrolidin-1-ylpropan-1-ol;dihydrochloride
PubChem CID119031377
Molecular FormulaC7H18Cl2N2O
Molecular Weight217.14 g/mol
Exact Mass216.08
IUPAC Name2-amino-3-pyrrolidin-1-ylpropan-1-ol;dihydrochloride
SMILESCl.Cl.NC(CO)CN1CCCC1
InChIInChI=1S/C7H16N2O.2ClH/c8-7(6-10)5-9-3-1-2-4-9;;/h7,10H,1-6,8H2;2*1H
InChIKeyRFARTPYPIJVLAE-UHFFFAOYSA-N
XLogP0.25
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pyrrolidin-1-ylpropan-1-ol;dihydrochloride?
The IUPAC name of 2-amino-3-pyrrolidin-1-ylpropan-1-ol;dihydrochloride (CID 119031377) is 2-amino-3-pyrrolidin-1-ylpropan-1-ol;dihydrochloride.
What is the SMILES notation for 2-amino-3-pyrrolidin-1-ylpropan-1-ol;dihydrochloride?
The canonical SMILES for 2-amino-3-pyrrolidin-1-ylpropan-1-ol;dihydrochloride is Cl.Cl.NC(CO)CN1CCCC1.
What is the InChIKey of 2-amino-3-pyrrolidin-1-ylpropan-1-ol;dihydrochloride?
The InChIKey is RFARTPYPIJVLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.2ClH/c8-7(6-10)5-9-3-1-2-4-9;;/h7,10H,1-6,8H2;2*1H.
What are the key properties of 2-amino-3-pyrrolidin-1-ylpropan-1-ol;dihydrochloride?
2-amino-3-pyrrolidin-1-ylpropan-1-ol;dihydrochloride has a molecular weight of 217.14 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pyrrolidin-1-ylpropan-1-ol;dihydrochloride is sourced from PubChem (CID 119031377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).