[(2R,4S)-4-methoxypyrrolidin-2-yl]methanol;hydrochloride

C6H14ClNO2 — CID 155904834

IUPAC[(2R,4S)-4-methoxypyrrolidin-2-yl]methanol;hydrochloride
SMILESCO[C@@H]1CN[C@@H](CO)C1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-9-6-2-5(4-8)7-3-6;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyJZJNYGFWGCTQFQ-IBTYICNHSA-N
MW167.64 g/mol
LogP-0.22
Rot. Bonds2

About [(2R,4S)-4-methoxypyrrolidin-2-yl]methanol;hydrochloride

[(2R,4S)-4-methoxypyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 155904834) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is [(2R,4S)-4-methoxypyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2R,4S)-4-methoxypyrrolidin-2-yl]methanol;hydrochloride
PubChem CID155904834
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name[(2R,4S)-4-methoxypyrrolidin-2-yl]methanol;hydrochloride
SMILESCO[C@@H]1CN[C@@H](CO)C1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-9-6-2-5(4-8)7-3-6;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyJZJNYGFWGCTQFQ-IBTYICNHSA-N
XLogP-0.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-methoxypyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2R,4S)-4-methoxypyrrolidin-2-yl]methanol;hydrochloride (CID 155904834) is [(2R,4S)-4-methoxypyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2R,4S)-4-methoxypyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2R,4S)-4-methoxypyrrolidin-2-yl]methanol;hydrochloride is CO[C@@H]1CN[C@@H](CO)C1.Cl.
What is the InChIKey of [(2R,4S)-4-methoxypyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is JZJNYGFWGCTQFQ-IBTYICNHSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-9-6-2-5(4-8)7-3-6;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m1./s1.
What are the key properties of [(2R,4S)-4-methoxypyrrolidin-2-yl]methanol;hydrochloride?
[(2R,4S)-4-methoxypyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-methoxypyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 155904834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).