(2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol

C5H9NO2 — CID 46226810

IUPAC(2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol
SMILESC[C@@H]1N=C[C@H](O)[C@H]1O
InChIInChI=1S/C5H9NO2/c1-3-5(8)4(7)2-6-3/h2-5,7-8H,1H3/t3-,4-,5-/m0/s1
InChIKeyQWXULCZCTYGDOT-YUPRTTJUSA-N
MW115.13 g/mol
LogP-0.82
Rot. Bonds

About (2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol

(2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol (PubChem CID 46226810) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol
PubChem CID46226810
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol
SMILESC[C@@H]1N=C[C@H](O)[C@H]1O
InChIInChI=1S/C5H9NO2/c1-3-5(8)4(7)2-6-3/h2-5,7-8H,1H3/t3-,4-,5-/m0/s1
InChIKeyQWXULCZCTYGDOT-YUPRTTJUSA-N
XLogP-0.82
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Nectrisine
CID 122106
(2R,3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
CID 10329322
(3S,4R)-3,4-dihydro-2H-pyrrole-3,4-diol
CID 10942354
CID 10374438
CID 10374438
CID 44319866
CID 44319866
(3R,4S)-3,4-dihydro-2H-pyrrole-3,4-diol
CID 10606705
3,4-Dihydro-3,4-dihydroxy-2H-pyrrole-2-methanol
CID 13923278
2-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-ol
CID 178244166
3,4-dihydro-2H-pyrrole-3,4-diol
CID 67738401
2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol
CID 68268418
(2R,3S,4S)-2-[(1R)-1-hydroxyethyl]-3,4-dihydro-2H-pyrrole-3,4-diol
CID 89313323
(3S,4S)-2,5-dimethyl-3,4-dihydro-2H-pyrrole-3,4-diol
CID 121274560

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol?
The IUPAC name of (2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol (CID 46226810) is (2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol.
What is the SMILES notation for (2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol?
The canonical SMILES for (2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol is C[C@@H]1N=C[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol?
The InChIKey is QWXULCZCTYGDOT-YUPRTTJUSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-5(8)4(7)2-6-3/h2-5,7-8H,1H3/t3-,4-,5-/m0/s1.
What are the key properties of (2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol?
(2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol has a molecular weight of 115.13 g/mol, XLogP of -0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2-methyl-3,4-dihydro-2H-pyrrole-3,4-diol is sourced from PubChem (CID 46226810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).