1-(2-aminoethyl)pyrrolidine-3,4-diol

C6H14N2O2 — CID 72789543

IUPAC1-(2-aminoethyl)pyrrolidine-3,4-diol
SMILESNCCN1CC(O)C(O)C1
InChIInChI=1S/C6H14N2O2/c7-1-2-8-3-5(9)6(10)4-8/h5-6,9-10H,1-4,7H2
InChIKeyQGYKHFXTWWKKHL-UHFFFAOYSA-N
MW146.19 g/mol
LogP-2.02
Rot. Bonds2

About 1-(2-aminoethyl)pyrrolidine-3,4-diol

1-(2-aminoethyl)pyrrolidine-3,4-diol (PubChem CID 72789543) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(2-aminoethyl)pyrrolidine-3,4-diol
PubChem CID72789543
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name1-(2-aminoethyl)pyrrolidine-3,4-diol
SMILESNCCN1CC(O)C(O)C1
InChIInChI=1S/C6H14N2O2/c7-1-2-8-3-5(9)6(10)4-8/h5-6,9-10H,1-4,7H2
InChIKeyQGYKHFXTWWKKHL-UHFFFAOYSA-N
XLogP-2.02
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(2-aminoethyl)pyrrolidine-3,4-diol (CID 72789543) is 1-(2-aminoethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(2-aminoethyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(2-aminoethyl)pyrrolidine-3,4-diol is NCCN1CC(O)C(O)C1.
What is the InChIKey of 1-(2-aminoethyl)pyrrolidine-3,4-diol?
The InChIKey is QGYKHFXTWWKKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c7-1-2-8-3-5(9)6(10)4-8/h5-6,9-10H,1-4,7H2.
What are the key properties of 1-(2-aminoethyl)pyrrolidine-3,4-diol?
1-(2-aminoethyl)pyrrolidine-3,4-diol has a molecular weight of 146.19 g/mol, XLogP of -2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 72789543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).