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

C6H11NO3 — CID 11019001

IUPAC(2R,3R,4R,5S)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol
SMILESC[C@H]1N=C[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO3/c1-3-5(9)6(10)4(8)2-7-3/h2-6,8-10H,1H3/t3-,4+,5-,6+/m1/s1
InChIKeyAGCJNOKLUACRPA-MOJAZDJTSA-N
MW145.16 g/mol
LogP-1.46
Rot. Bonds

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

(2R,3R,4R,5S)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol (PubChem CID 11019001) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol
PubChem CID11019001
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2R,3R,4R,5S)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol
SMILESC[C@H]1N=C[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO3/c1-3-5(9)6(10)4(8)2-7-3/h2-6,8-10H,1H3/t3-,4+,5-,6+/m1/s1
InChIKeyAGCJNOKLUACRPA-MOJAZDJTSA-N
XLogP-1.46
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Nectrisine
CID 122106
(2R,3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
CID 10329322
CID 10374438
CID 10374438
CID 44319866
CID 44319866
(2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol
CID 46226810
3,4-Dihydro-3,4-dihydroxy-2H-pyrrole-2-methanol
CID 13923278
(2R,3R,4S,5S)-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
CID 447651
(3S,4R,5R,6S)-3,4,5,6-tetrahydro-2H-azepine-3,4,5,6-tetrol
CID 56835758
(3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
CID 10352013
2-(Hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
CID 67042248
2,2-dimethyl-4,5-dihydro-3H-pyridine-3,4,5-triol
CID 67340825
2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol
CID 67340829

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol (CID 11019001) is (2R,3R,4R,5S)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol is C[C@H]1N=C[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol?
The InChIKey is AGCJNOKLUACRPA-MOJAZDJTSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-5(9)6(10)4(8)2-7-3/h2-6,8-10H,1H3/t3-,4+,5-,6+/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol?
(2R,3R,4R,5S)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol has a molecular weight of 145.16 g/mol, XLogP of -1.46, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-methyl-2,3,4,5-tetrahydropyridine-3,4,5-triol is sourced from PubChem (CID 11019001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).