(2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol

C7H12N2O5 — CID 126537599

IUPAC(2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol
SMILESC[C@@H]1N/C(=C\[N+](=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H12N2O5/c1-3-5(10)7(12)6(11)4(8-3)2-9(13)14/h2-3,5-8,10-12H,1H3/b4-2-/t3-,5+,6+,7+/m0/s1
InChIKeyZOSZTNLQMVOZRA-XYIQHDPPSA-N
MW204.18 g/mol
LogP-1.82
Rot. Bonds1

About (2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol

(2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol (PubChem CID 126537599) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is (2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol
PubChem CID126537599
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name(2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol
SMILESC[C@@H]1N/C(=C\[N+](=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H12N2O5/c1-3-5(10)7(12)6(11)4(8-3)2-9(13)14/h2-3,5-8,10-12H,1H3/b4-2-/t3-,5+,6+,7+/m0/s1
InChIKeyZOSZTNLQMVOZRA-XYIQHDPPSA-N
XLogP-1.82
TPSA115.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol (CID 126537599) is (2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol is C[C@@H]1N/C(=C\[N+](=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol?
The InChIKey is ZOSZTNLQMVOZRA-XYIQHDPPSA-N. The full InChI is InChI=1S/C7H12N2O5/c1-3-5(10)7(12)6(11)4(8-3)2-9(13)14/h2-3,5-8,10-12H,1H3/b4-2-/t3-,5+,6+,7+/m0/s1.
What are the key properties of (2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol?
(2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol has a molecular weight of 204.18 g/mol, XLogP of -1.82, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol is sourced from PubChem (CID 126537599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).