(2S,3S,4S)-2-methylpyrrolidine-3,4-diol

C5H11NO2 — CID 11040675

IUPAC(2S,3S,4S)-2-methylpyrrolidine-3,4-diol
SMILESC[C@@H]1NC[C@H](O)[C@H]1O
InChIInChI=1S/C5H11NO2/c1-3-5(8)4(7)2-6-3/h3-8H,2H2,1H3/t3-,4-,5-/m0/s1
InChIKeyMUXHUWTVFOHVKD-YUPRTTJUSA-N
MW117.15 g/mol
LogP-1.30
Rot. Bonds

About (2S,3S,4S)-2-methylpyrrolidine-3,4-diol

(2S,3S,4S)-2-methylpyrrolidine-3,4-diol (PubChem CID 11040675) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (2S,3S,4S)-2-methylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S)-2-methylpyrrolidine-3,4-diol
PubChem CID11040675
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(2S,3S,4S)-2-methylpyrrolidine-3,4-diol
SMILESC[C@@H]1NC[C@H](O)[C@H]1O
InChIInChI=1S/C5H11NO2/c1-3-5(8)4(7)2-6-3/h3-8H,2H2,1H3/t3-,4-,5-/m0/s1
InChIKeyMUXHUWTVFOHVKD-YUPRTTJUSA-N
XLogP-1.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-methylpyrrolidine-3,4-diol?
The IUPAC name of (2S,3S,4S)-2-methylpyrrolidine-3,4-diol (CID 11040675) is (2S,3S,4S)-2-methylpyrrolidine-3,4-diol.
What is the SMILES notation for (2S,3S,4S)-2-methylpyrrolidine-3,4-diol?
The canonical SMILES for (2S,3S,4S)-2-methylpyrrolidine-3,4-diol is C[C@@H]1NC[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4S)-2-methylpyrrolidine-3,4-diol?
The InChIKey is MUXHUWTVFOHVKD-YUPRTTJUSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-5(8)4(7)2-6-3/h3-8H,2H2,1H3/t3-,4-,5-/m0/s1.
What are the key properties of (2S,3S,4S)-2-methylpyrrolidine-3,4-diol?
(2S,3S,4S)-2-methylpyrrolidine-3,4-diol has a molecular weight of 117.15 g/mol, XLogP of -1.30, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2-methylpyrrolidine-3,4-diol is sourced from PubChem (CID 11040675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).