(2R,3R,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]piperidine-3,4,5-triol

C8H15NO4 — CID 10511846

IUPAC(2R,3R,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]piperidine-3,4,5-triol
SMILESC=C[C@H](O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H15NO4/c1-2-4(10)6-8(13)7(12)5(11)3-9-6/h2,4-13H,1,3H2/t4-,5-,6+,7+,8+/m0/s1
InChIKeyLYJPORADZVAIRW-TVNFTVLESA-N
MW189.21 g/mol
LogP-2.41
Rot. Bonds2

About (2R,3R,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]piperidine-3,4,5-triol

(2R,3R,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]piperidine-3,4,5-triol (PubChem CID 10511846) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]piperidine-3,4,5-triol
PubChem CID10511846
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name(2R,3R,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]piperidine-3,4,5-triol
SMILESC=C[C@H](O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H15NO4/c1-2-4(10)6-8(13)7(12)5(11)3-9-6/h2,4-13H,1,3H2/t4-,5-,6+,7+,8+/m0/s1
InChIKeyLYJPORADZVAIRW-TVNFTVLESA-N
XLogP-2.41
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-2.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]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,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]piperidine-3,4,5-triol (CID 10511846) is (2R,3R,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]piperidine-3,4,5-triol is C=C[C@H](O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]piperidine-3,4,5-triol?
The InChIKey is LYJPORADZVAIRW-TVNFTVLESA-N. The full InChI is InChI=1S/C8H15NO4/c1-2-4(10)6-8(13)7(12)5(11)3-9-6/h2,4-13H,1,3H2/t4-,5-,6+,7+,8+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]piperidine-3,4,5-triol?
(2R,3R,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]piperidine-3,4,5-triol has a molecular weight of 189.21 g/mol, XLogP of -2.41, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-[(1S)-1-hydroxyprop-2-enyl]piperidine-3,4,5-triol is sourced from PubChem (CID 10511846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).