(2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol

C5H11NO3 — CID 89313311

IUPAC(2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol
SMILESC[C@@H]1[C@@H](O)[C@@H](O)CN1O
InChIInChI=1S/C5H11NO3/c1-3-5(8)4(7)2-6(3)9/h3-5,7-9H,2H2,1H3/t3-,4+,5-/m1/s1
InChIKeyFAIAXPMUWZBVCW-MROZADKFSA-N
MW133.15 g/mol
LogP-1.20
Rot. Bonds

About (2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol

(2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol (PubChem CID 89313311) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol
PubChem CID89313311
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol
SMILESC[C@@H]1[C@@H](O)[C@@H](O)CN1O
InChIInChI=1S/C5H11NO3/c1-3-5(8)4(7)2-6(3)9/h3-5,7-9H,2H2,1H3/t3-,4+,5-/m1/s1
InChIKeyFAIAXPMUWZBVCW-MROZADKFSA-N
XLogP-1.20
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol (CID 89313311) is (2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol is C[C@@H]1[C@@H](O)[C@@H](O)CN1O.
What is the InChIKey of (2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol?
The InChIKey is FAIAXPMUWZBVCW-MROZADKFSA-N. The full InChI is InChI=1S/C5H11NO3/c1-3-5(8)4(7)2-6(3)9/h3-5,7-9H,2H2,1H3/t3-,4+,5-/m1/s1.
What are the key properties of (2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol?
(2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol has a molecular weight of 133.15 g/mol, XLogP of -1.20, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-1-hydroxy-2-methylpyrrolidine-3,4-diol is sourced from PubChem (CID 89313311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).