2-amino-1-pyrrolidin-1-ylethanol

C6H14N2O — CID 70023810

IUPAC2-amino-1-pyrrolidin-1-ylethanol
SMILESNCC(O)N1CCCC1
InChIInChI=1S/C6H14N2O/c7-5-6(9)8-3-1-2-4-8/h6,9H,1-5,7H2
InChIKeyVHLAJHCTFZKVSF-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.64
Rot. Bonds2

About 2-amino-1-pyrrolidin-1-ylethanol

2-amino-1-pyrrolidin-1-ylethanol (PubChem CID 70023810) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-amino-1-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name2-amino-1-pyrrolidin-1-ylethanol
PubChem CID70023810
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name2-amino-1-pyrrolidin-1-ylethanol
SMILESNCC(O)N1CCCC1
InChIInChI=1S/C6H14N2O/c7-5-6(9)8-3-1-2-4-8/h6,9H,1-5,7H2
InChIKeyVHLAJHCTFZKVSF-UHFFFAOYSA-N
XLogP-0.64
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-pyrrolidin-1-ylethanol?
The IUPAC name of 2-amino-1-pyrrolidin-1-ylethanol (CID 70023810) is 2-amino-1-pyrrolidin-1-ylethanol.
What is the SMILES notation for 2-amino-1-pyrrolidin-1-ylethanol?
The canonical SMILES for 2-amino-1-pyrrolidin-1-ylethanol is NCC(O)N1CCCC1.
What is the InChIKey of 2-amino-1-pyrrolidin-1-ylethanol?
The InChIKey is VHLAJHCTFZKVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c7-5-6(9)8-3-1-2-4-8/h6,9H,1-5,7H2.
What are the key properties of 2-amino-1-pyrrolidin-1-ylethanol?
2-amino-1-pyrrolidin-1-ylethanol has a molecular weight of 130.19 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-pyrrolidin-1-ylethanol is sourced from PubChem (CID 70023810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).