(3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol

C6H13NO2 — CID 11182838

IUPAC(3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol
SMILESCOC[C@H]1CNC[C@@H]1O
InChIInChI=1S/C6H13NO2/c1-9-4-5-2-7-3-6(5)8/h5-8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyIVZZRRHEXBJLFL-RITPCOANSA-N
MW131.18 g/mol
LogP-0.79
Rot. Bonds2

About (3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol

(3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol (PubChem CID 11182838) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol
PubChem CID11182838
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol
SMILESCOC[C@H]1CNC[C@@H]1O
InChIInChI=1S/C6H13NO2/c1-9-4-5-2-7-3-6(5)8/h5-8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyIVZZRRHEXBJLFL-RITPCOANSA-N
XLogP-0.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol (CID 11182838) is (3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol is COC[C@H]1CNC[C@@H]1O.
What is the InChIKey of (3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol?
The InChIKey is IVZZRRHEXBJLFL-RITPCOANSA-N. The full InChI is InChI=1S/C6H13NO2/c1-9-4-5-2-7-3-6(5)8/h5-8H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol?
(3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol has a molecular weight of 131.18 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 11182838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).