(3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride

C6H14ClNO2 — CID 133109107

IUPAC(3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride
SMILESCN1C[C@@H](O)C[C@@H]1CO.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-7-3-6(9)2-5(7)4-8;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyANKBLDRZORUBIK-IBTYICNHSA-N
MW167.64 g/mol
LogP-0.53
Rot. Bonds1

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

(3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride (PubChem CID 133109107) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is (3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride
PubChem CID133109107
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name(3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride
SMILESCN1C[C@@H](O)C[C@@H]1CO.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-7-3-6(9)2-5(7)4-8;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyANKBLDRZORUBIK-IBTYICNHSA-N
XLogP-0.53
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 142979346
(3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol
CID 169224677
CID 59969699
CID 59969699
(3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 59596527
[(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol
CID 88534958
[(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 170901141
1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine
CID 160662524
(3R,5S)-1-hexadecyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 156737514
(3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 130621127
(3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol
CID 126987725
(3S,5S)-1,5-dimethylpyrrolidin-3-ol
CID 59896080
3-[(4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
CID 69419168

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of (3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride (CID 133109107) is (3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride is CN1C[C@@H](O)C[C@@H]1CO.Cl.
What is the InChIKey of (3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride?
The InChIKey is ANKBLDRZORUBIK-IBTYICNHSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-7-3-6(9)2-5(7)4-8;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+;/m1./s1.
What are the key properties of (3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride?
(3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 133109107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).