(2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol

C6H12N2O3 — CID 67796115

IUPAC(2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol
SMILESNC1CN/C(=C/O)C(O)C1O
InChIInChI=1S/C6H12N2O3/c7-3-1-8-4(2-9)6(11)5(3)10/h2-3,5-6,8-11H,1,7H2/b4-2+
InChIKeyKAJSTBNRNJNFDT-DUXPYHPUSA-N
MW160.17 g/mol
LogP-1.96
Rot. Bonds

About (2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol

(2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol (PubChem CID 67796115) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is (2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol.

Molecular Properties

Compound Name(2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol
PubChem CID67796115
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name(2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol
SMILESNC1CN/C(=C/O)C(O)C1O
InChIInChI=1S/C6H12N2O3/c7-3-1-8-4(2-9)6(11)5(3)10/h2-3,5-6,8-11H,1,7H2/b4-2+
InChIKeyKAJSTBNRNJNFDT-DUXPYHPUSA-N
XLogP-1.96
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol?
The IUPAC name of (2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol (CID 67796115) is (2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol.
What is the SMILES notation for (2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol?
The canonical SMILES for (2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol is NC1CN/C(=C/O)C(O)C1O.
What is the InChIKey of (2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol?
The InChIKey is KAJSTBNRNJNFDT-DUXPYHPUSA-N. The full InChI is InChI=1S/C6H12N2O3/c7-3-1-8-4(2-9)6(11)5(3)10/h2-3,5-6,8-11H,1,7H2/b4-2+.
What are the key properties of (2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol?
(2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol has a molecular weight of 160.17 g/mol, XLogP of -1.96, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol is sourced from PubChem (CID 67796115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).