(2R,3R)-2-methylpyrrolidin-3-ol;hydrochloride

C5H12ClNO — CID 67314332

IUPAC(2R,3R)-2-methylpyrrolidin-3-ol;hydrochloride
SMILESC[C@H]1NCC[C@H]1O.Cl
InChIInChI=1S/C5H11NO.ClH/c1-4-5(7)2-3-6-4;/h4-7H,2-3H2,1H3;1H/t4-,5-;/m1./s1
InChIKeyCFFLXBUMALVKSD-TYSVMGFPSA-N
MW137.61 g/mol
LogP0.15
Rot. Bonds

About (2R,3R)-2-methylpyrrolidin-3-ol;hydrochloride

(2R,3R)-2-methylpyrrolidin-3-ol;hydrochloride (PubChem CID 67314332) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is (2R,3R)-2-methylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-2-methylpyrrolidin-3-ol;hydrochloride
PubChem CID67314332
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name(2R,3R)-2-methylpyrrolidin-3-ol;hydrochloride
SMILESC[C@H]1NCC[C@H]1O.Cl
InChIInChI=1S/C5H11NO.ClH/c1-4-5(7)2-3-6-4;/h4-7H,2-3H2,1H3;1H/t4-,5-;/m1./s1
InChIKeyCFFLXBUMALVKSD-TYSVMGFPSA-N
XLogP0.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxypyrrolidine
CID 98210
2-Methyl-pyrrolidine-3,4-diol
CID 44319748
(2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol
CID 11073391
(3S)-pyrrolidin-3-ol
CID 2733874
(3R)-pyrrolidin-3-ol hydrochloride
CID 2759336
(R)-3-Pyrrolidinol
CID 2759337
(2S,3R,4S)-2-methylpyrrolidine-3,4-diol
CID 10441689
(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol hydrochloride
CID 53487134
2,2-Dimethylpyrrolidin-3-ol
CID 71669042
3-Hydroxypyrrolidine hydrochloride
CID 2769408
(S)-3-Hydroxypyrrolidine hydrochloride
CID 22309122
(2S,3S)-2-(hydroxymethyl)pyrrolidin-3-ol hydrochloride
CID 86683343

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of (2R,3R)-2-methylpyrrolidin-3-ol;hydrochloride (CID 67314332) is (2R,3R)-2-methylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (2R,3R)-2-methylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (2R,3R)-2-methylpyrrolidin-3-ol;hydrochloride is C[C@H]1NCC[C@H]1O.Cl.
What is the InChIKey of (2R,3R)-2-methylpyrrolidin-3-ol;hydrochloride?
The InChIKey is CFFLXBUMALVKSD-TYSVMGFPSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-4-5(7)2-3-6-4;/h4-7H,2-3H2,1H3;1H/t4-,5-;/m1./s1.
What are the key properties of (2R,3R)-2-methylpyrrolidin-3-ol;hydrochloride?
(2R,3R)-2-methylpyrrolidin-3-ol;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 67314332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).