(2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol

C8H17NO4 — CID 164611552

IUPAC(2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO4/c1-2-8(4-10)7(13)6(12)5(11)3-9-8/h5-7,9-13H,2-4H2,1H3/t5-,6+,7-,8+/m0/s1
InChIKeyNIQDLZGOKLXJAV-FKSUSPILSA-N
MW191.23 g/mol
LogP-2.19
Rot. Bonds2

About (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol

(2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 164611552) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID164611552
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name(2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO4/c1-2-8(4-10)7(13)6(12)5(11)3-9-8/h5-7,9-13H,2-4H2,1H3/t5-,6+,7-,8+/m0/s1
InChIKeyNIQDLZGOKLXJAV-FKSUSPILSA-N
XLogP-2.19
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-2.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4R,5S)-2-ethyl-2-(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,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol (CID 164611552) is (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol is CC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is NIQDLZGOKLXJAV-FKSUSPILSA-N. The full InChI is InChI=1S/C8H17NO4/c1-2-8(4-10)7(13)6(12)5(11)3-9-8/h5-7,9-13H,2-4H2,1H3/t5-,6+,7-,8+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol?
(2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 191.23 g/mol, XLogP of -2.19, 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-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 164611552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).