(3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride

C6H14ClNO2 — CID 155904303

IUPAC(3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride
SMILESCOC[C@H]1C[C@H](O)CN1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-9-4-5-2-6(8)3-7-5;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyKNMOZBOMDXHCKW-IBTYICNHSA-N
MW167.64 g/mol
LogP-0.22
Rot. Bonds2

About (3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride

(3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 155904303) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is (3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride
PubChem CID155904303
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name(3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride
SMILESCOC[C@H]1C[C@H](O)CN1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-9-4-5-2-6(8)3-7-5;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyKNMOZBOMDXHCKW-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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Related Compounds

ethane;5-(methoxymethyl)pyrrolidin-3-ol
CID 162382010
(3S,5R)-5-(2-methoxyethyl)pyrrolidin-3-ol
CID 143593756
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 119057051
4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 122236424
5-(aminomethyl)pyrrolidin-3-ol;methanol
CID 145422369
2-(methoxymethyl)-6-methylpiperidin-4-ol
CID 89196247
5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055756
3-(methoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 22981542
5-[[2-methoxyethyl(propan-2-yl)amino]methyl]pyrrolidin-3-ol
CID 82952206
(2S,4R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 57326561
5-[[cyclopropyl(2-methoxyethyl)amino]methyl]pyrrolidin-3-ol
CID 66056161
2-amino-N-[[(4R)-4-hydroxypyrrolidin-2-yl]methoxy]acetamide
CID 145222763

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of (3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride (CID 155904303) is (3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride is COC[C@H]1C[C@H](O)CN1.Cl.
What is the InChIKey of (3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is KNMOZBOMDXHCKW-IBTYICNHSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-9-4-5-2-6(8)3-7-5;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m1./s1.
What are the key properties of (3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride?
(3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;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 (3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 155904303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).