3-amino-1-(2-hydroxyethyl)pyrrole-2,5-diol

C6H10N2O3 — CID 90928817

IUPAC3-amino-1-(2-hydroxyethyl)pyrrole-2,5-diol
SMILESNc1cc(O)n(CCO)c1O
InChIInChI=1S/C6H10N2O3/c7-4-3-5(10)8(1-2-9)6(4)11/h3,9-11H,1-2,7H2
InChIKeyUIJQIAGBXPJBBK-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.53
Rot. Bonds2

About 3-amino-1-(2-hydroxyethyl)pyrrole-2,5-diol

3-amino-1-(2-hydroxyethyl)pyrrole-2,5-diol (PubChem CID 90928817) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 3-amino-1-(2-hydroxyethyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name3-amino-1-(2-hydroxyethyl)pyrrole-2,5-diol
PubChem CID90928817
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name3-amino-1-(2-hydroxyethyl)pyrrole-2,5-diol
SMILESNc1cc(O)n(CCO)c1O
InChIInChI=1S/C6H10N2O3/c7-4-3-5(10)8(1-2-9)6(4)11/h3,9-11H,1-2,7H2
InChIKeyUIJQIAGBXPJBBK-UHFFFAOYSA-N
XLogP-0.53
TPSA91.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-hydroxyethyl)pyrrole-2,5-diol?
The IUPAC name of 3-amino-1-(2-hydroxyethyl)pyrrole-2,5-diol (CID 90928817) is 3-amino-1-(2-hydroxyethyl)pyrrole-2,5-diol.
What is the SMILES notation for 3-amino-1-(2-hydroxyethyl)pyrrole-2,5-diol?
The canonical SMILES for 3-amino-1-(2-hydroxyethyl)pyrrole-2,5-diol is Nc1cc(O)n(CCO)c1O.
What is the InChIKey of 3-amino-1-(2-hydroxyethyl)pyrrole-2,5-diol?
The InChIKey is UIJQIAGBXPJBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c7-4-3-5(10)8(1-2-9)6(4)11/h3,9-11H,1-2,7H2.
What are the key properties of 3-amino-1-(2-hydroxyethyl)pyrrole-2,5-diol?
3-amino-1-(2-hydroxyethyl)pyrrole-2,5-diol has a molecular weight of 158.16 g/mol, XLogP of -0.53, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-hydroxyethyl)pyrrole-2,5-diol is sourced from PubChem (CID 90928817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).