(2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)piperidine-3,4,5-triol

C10H19NO4 — CID 67407328

IUPAC(2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)piperidine-3,4,5-triol
SMILESC=CCC[C@H]1N[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO4/c1-2-3-4-6-8(13)10(15)9(14)7(5-12)11-6/h2,6-15H,1,3-5H2/t6-,7+,8-,9+,10+/m1/s1
InChIKeySLLDHXKXDFLVPF-KGDYZURWSA-N
MW217.26 g/mol
LogP-1.63
Rot. Bonds4

About (2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)piperidine-3,4,5-triol

(2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 67407328) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is (2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID67407328
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)piperidine-3,4,5-triol
SMILESC=CCC[C@H]1N[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO4/c1-2-3-4-6-8(13)10(15)9(14)7(5-12)11-6/h2,6-15H,1,3-5H2/t6-,7+,8-,9+,10+/m1/s1
InChIKeySLLDHXKXDFLVPF-KGDYZURWSA-N
XLogP-1.63
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-1.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)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 (2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)piperidine-3,4,5-triol (CID 67407328) is (2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)piperidine-3,4,5-triol is C=CCC[C@H]1N[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is SLLDHXKXDFLVPF-KGDYZURWSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-3-4-6-8(13)10(15)9(14)7(5-12)11-6/h2,6-15H,1,3-5H2/t6-,7+,8-,9+,10+/m1/s1.
What are the key properties of (2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)piperidine-3,4,5-triol?
(2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 217.26 g/mol, XLogP of -1.63, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6S)-2-but-3-enyl-6-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 67407328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).