(2S,3R,4R,5R)-2-methyl-6-methylidenepiperidine-3,4,5-triol

C7H13NO3 — CID 126537617

IUPAC(2S,3R,4R,5R)-2-methyl-6-methylidenepiperidine-3,4,5-triol
SMILESC=C1N[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H13NO3/c1-3-5(9)7(11)6(10)4(2)8-3/h4-11H,1H2,2H3/t4-,5+,6+,7-/m0/s1
InChIKeyUAKMOOURDUBPDD-WNJXEPBRSA-N
MW159.18 g/mol
LogP-1.43
Rot. Bonds

About (2S,3R,4R,5R)-2-methyl-6-methylidenepiperidine-3,4,5-triol

(2S,3R,4R,5R)-2-methyl-6-methylidenepiperidine-3,4,5-triol (PubChem CID 126537617) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-methyl-6-methylidenepiperidine-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-methyl-6-methylidenepiperidine-3,4,5-triol
PubChem CID126537617
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2S,3R,4R,5R)-2-methyl-6-methylidenepiperidine-3,4,5-triol
SMILESC=C1N[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H13NO3/c1-3-5(9)7(11)6(10)4(2)8-3/h4-11H,1H2,2H3/t4-,5+,6+,7-/m0/s1
InChIKeyUAKMOOURDUBPDD-WNJXEPBRSA-N
XLogP-1.43
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol;hydrochloride
CID 57341106
(2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol
CID 57341107
(2E)-5-amino-2-(hydroxymethylidene)piperidine-3,4-diol
CID 67796115
5-Amino-2-(hydroxymethylidene)piperidine-3,4-diol
CID 67796117
(2Z)-2-(hydroxymethylidene)piperidine-3,4,5-triol
CID 67907655
2-(Hydroxymethylidene)piperidine-3,4,5-triol
CID 67907657
[(2R,3S,4S,5R)-2-ethenyl-3,5-dihydroxypiperidin-4-yl] hypoiodite
CID 89597130
5-[4-(Propan-2-ylamino)piperidin-1-yl]pent-1-ene-2,3,4-triol
CID 124169937
(2S,3R,4R,5R,6Z)-2-methyl-6-(nitromethylidene)piperidine-3,4,5-triol
CID 126537599
(2Z,3R,4R,5R,6S)-2-(aminomethylidene)-6-methylpiperidine-3,4,5-triol
CID 126537600
(2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol
CID 126537601
(2Z,3R,4R)-2-(aminomethylidene)piperidine-3,4-diol
CID 126543680

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-methyl-6-methylidenepiperidine-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R)-2-methyl-6-methylidenepiperidine-3,4,5-triol (CID 126537617) is (2S,3R,4R,5R)-2-methyl-6-methylidenepiperidine-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R)-2-methyl-6-methylidenepiperidine-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R)-2-methyl-6-methylidenepiperidine-3,4,5-triol is C=C1N[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-2-methyl-6-methylidenepiperidine-3,4,5-triol?
The InChIKey is UAKMOOURDUBPDD-WNJXEPBRSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-5(9)7(11)6(10)4(2)8-3/h4-11H,1H2,2H3/t4-,5+,6+,7-/m0/s1.
What are the key properties of (2S,3R,4R,5R)-2-methyl-6-methylidenepiperidine-3,4,5-triol?
(2S,3R,4R,5R)-2-methyl-6-methylidenepiperidine-3,4,5-triol has a molecular weight of 159.18 g/mol, XLogP of -1.43, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-methyl-6-methylidenepiperidine-3,4,5-triol is sourced from PubChem (CID 126537617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).