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

C5H12ClNO — CID 67314682

IUPAC(2S,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+;/m0./s1
InChIKeyCFFLXBUMALVKSD-UYXJWNHNSA-N
MW137.61 g/mol
LogP0.15
Rot. Bonds

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

(2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride (PubChem CID 67314682) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is (2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride
PubChem CID67314682
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name(2S,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+;/m0./s1
InChIKeyCFFLXBUMALVKSD-UYXJWNHNSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of (2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride (CID 67314682) is (2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride is C[C@@H]1NCC[C@H]1O.Cl.
What is the InChIKey of (2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride?
The InChIKey is CFFLXBUMALVKSD-UYXJWNHNSA-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+;/m0./s1.
What are the key properties of (2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride?
(2S,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 (2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 67314682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).