(2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol

C6H13NO2 — CID 89090789

IUPAC(2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol
SMILESCO[C@@H]1C[C@H](O)N(C)C1
InChIInChI=1S/C6H13NO2/c1-7-4-5(9-2)3-6(7)8/h5-6,8H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyQYWAHNOZNCGENX-RITPCOANSA-N
MW131.18 g/mol
LogP-0.34
Rot. Bonds1

About (2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol

(2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol (PubChem CID 89090789) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol.

Molecular Properties

Compound Name(2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol
PubChem CID89090789
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol
SMILESCO[C@@H]1C[C@H](O)N(C)C1
InChIInChI=1S/C6H13NO2/c1-7-4-5(9-2)3-6(7)8/h5-6,8H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyQYWAHNOZNCGENX-RITPCOANSA-N
XLogP-0.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol?
The IUPAC name of (2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol (CID 89090789) is (2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol.
What is the SMILES notation for (2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol?
The canonical SMILES for (2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol is CO[C@@H]1C[C@H](O)N(C)C1.
What is the InChIKey of (2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol?
The InChIKey is QYWAHNOZNCGENX-RITPCOANSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-4-5(9-2)3-6(7)8/h5-6,8H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol?
(2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol has a molecular weight of 131.18 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol is sourced from PubChem (CID 89090789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).