(2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol

C6H13NO3 — CID 55300795

IUPAC(2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol
SMILESC[C@@H]1NC[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4-,5+,6-/m0/s1
InChIKeyVYOCYWDJTQRZLC-AZGQCCRYSA-N
MW147.17 g/mol
LogP-1.94
Rot. Bonds

About (2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol

(2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol (PubChem CID 55300795) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol
PubChem CID55300795
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol
SMILESC[C@@H]1NC[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4-,5+,6-/m0/s1
InChIKeyVYOCYWDJTQRZLC-AZGQCCRYSA-N
XLogP-1.94
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol (CID 55300795) is (2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol is C[C@@H]1NC[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol?
The InChIKey is VYOCYWDJTQRZLC-AZGQCCRYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4-,5+,6-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol?
(2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol has a molecular weight of 147.17 g/mol, XLogP of -1.94, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol is sourced from PubChem (CID 55300795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).