(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol

C6H13NO3 — CID 89290989

IUPAC(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
SMILESCC1N[C@@H](CO)C(O)[C@@H]1O
InChIInChI=1S/C6H13NO3/c1-3-5(9)6(10)4(2-8)7-3/h3-10H,2H2,1H3/t3?,4-,5+,6?/m0/s1
InChIKeyYRBKDBZXOAEMOT-CLEROBSHSA-N
MW147.17 g/mol
LogP-1.94
Rot. Bonds1

About (2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol

(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol (PubChem CID 89290989) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
PubChem CID89290989
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
SMILESCC1N[C@@H](CO)C(O)[C@@H]1O
InChIInChI=1S/C6H13NO3/c1-3-5(9)6(10)4(2-8)7-3/h3-10H,2H2,1H3/t3?,4-,5+,6?/m0/s1
InChIKeyYRBKDBZXOAEMOT-CLEROBSHSA-N
XLogP-1.94
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol?
The IUPAC name of (2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol (CID 89290989) is (2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol.
What is the SMILES notation for (2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol?
The canonical SMILES for (2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol is CC1N[C@@H](CO)C(O)[C@@H]1O.
What is the InChIKey of (2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol?
The InChIKey is YRBKDBZXOAEMOT-CLEROBSHSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(2-8)7-3/h3-10H,2H2,1H3/t3?,4-,5+,6?/m0/s1.
What are the key properties of (2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol?
(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol has a molecular weight of 147.17 g/mol, XLogP of -1.94, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol is sourced from PubChem (CID 89290989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).