(2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol

C11H17N3O — CID 96862844

IUPAC(2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol
SMILESN[C@@H](CO)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C11H17N3O/c12-10(8-15)11-7-9(3-4-13-11)14-5-1-2-6-14/h3-4,7,10,15H,1-2,5-6,8,12H2/t10-/m0/s1
InChIKeyPTDBFGWMAVTLEL-JTQLQIEISA-N
MW207.28 g/mol
LogP0.67
Rot. Bonds3

About (2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol

(2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol (PubChem CID 96862844) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol
PubChem CID96862844
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol
SMILESN[C@@H](CO)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C11H17N3O/c12-10(8-15)11-7-9(3-4-13-11)14-5-1-2-6-14/h3-4,7,10,15H,1-2,5-6,8,12H2/t10-/m0/s1
InChIKeyPTDBFGWMAVTLEL-JTQLQIEISA-N
XLogP0.67
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol (CID 96862844) is (2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol is N[C@@H](CO)c1cc(N2CCCC2)ccn1.
What is the InChIKey of (2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol?
The InChIKey is PTDBFGWMAVTLEL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O/c12-10(8-15)11-7-9(3-4-13-11)14-5-1-2-6-14/h3-4,7,10,15H,1-2,5-6,8,12H2/t10-/m0/s1.
What are the key properties of (2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol?
(2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol has a molecular weight of 207.28 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol is sourced from PubChem (CID 96862844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).