(2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol

C6H13NO2 — CID 59796283

IUPAC(2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol
SMILESC[C@@H]1N[C@H](CO)C[C@H]1O
InChIInChI=1S/C6H13NO2/c1-4-6(9)2-5(3-8)7-4/h4-9H,2-3H2,1H3/t4-,5-,6+/m0/s1
InChIKeyJIUNCHBBFQRRJS-HCWXCVPCSA-N
MW131.18 g/mol
LogP-0.91
Rot. Bonds1

About (2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol

(2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol (PubChem CID 59796283) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol
PubChem CID59796283
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol
SMILESC[C@@H]1N[C@H](CO)C[C@H]1O
InChIInChI=1S/C6H13NO2/c1-4-6(9)2-5(3-8)7-4/h4-9H,2-3H2,1H3/t4-,5-,6+/m0/s1
InChIKeyJIUNCHBBFQRRJS-HCWXCVPCSA-N
XLogP-0.91
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol?
The IUPAC name of (2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol (CID 59796283) is (2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol.
What is the SMILES notation for (2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol?
The canonical SMILES for (2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol is C[C@@H]1N[C@H](CO)C[C@H]1O.
What is the InChIKey of (2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol?
The InChIKey is JIUNCHBBFQRRJS-HCWXCVPCSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-6(9)2-5(3-8)7-4/h4-9H,2-3H2,1H3/t4-,5-,6+/m0/s1.
What are the key properties of (2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol?
(2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol has a molecular weight of 131.18 g/mol, XLogP of -0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-5-(hydroxymethyl)-2-methylpyrrolidin-3-ol is sourced from PubChem (CID 59796283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).