(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol

C6H13NO2 — CID 15594658

IUPAC(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
SMILESCN1C[C@H](C[C@H]1CO)O
InChIInChI=1S/C6H13NO2/c1-7-3-6(9)2-5(7)4-8/h5-6,8-9H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyIXFHJDFJPFHQLP-WDSKDSINSA-N
MW131.17 g/mol
LogP-0.80
Rot. Bonds1

About (3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol

(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol (PubChem CID 15594658) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
PubChem CID15594658
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
SMILESCN1C[C@H](C[C@H]1CO)O
InChIInChI=1S/C6H13NO2/c1-7-3-6(9)2-5(7)4-8/h5-6,8-9H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyIXFHJDFJPFHQLP-WDSKDSINSA-N
XLogP-0.80
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity97

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-
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Spyqwytvwzbehs-fsdsqadbsa-
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1-Methyl-2-pyrrolidinemethanol
CID 97836
(2S)-1-Methyl-2-pyrrolidinemethanol
CID 643492
(2R,3R,4R)-1-butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 464727
[(2S)-1-Ethyl-2-Pyrrolidinyl]Methanol
CID 952319
((2R)-1-methylpyrrolidin-2-yl)methanol
CID 11007868
N-Methyl-2,5-dideoxy-2,5-imino-D-mannitol
CID 451990
MeLAB
CID 451993
N-Methyl-1,4-dideoxy-1,4-imino-D-mannitol
CID 451996
N-Methyl-1,4-dideoxy-1,4-imino-D-ribitol
CID 452008
(2S,3S,4S)-1-Butyl-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 10058315

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol (CID 15594658) is (3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol is CN1C[C@H](C[C@H]1CO)O.
What is the InChIKey of (3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol?
The InChIKey is IXFHJDFJPFHQLP-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-3-6(9)2-5(7)4-8/h5-6,8-9H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol?
(3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol has a molecular weight of 131.17 g/mol, XLogP of -0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 15594658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).