(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine

C7H15NO2 — CID 13397591

IUPAC(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1C[C@@H](OC)CN1
InChIInChI=1S/C7H15NO2/c1-9-5-6-3-7(10-2)4-8-6/h6-8H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyPPTNZOLRDCBYIX-NKWVEPMBSA-N
MW145.20 g/mol
LogP0.01
Rot. Bonds3

About (2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine

(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine (PubChem CID 13397591) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine
PubChem CID13397591
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1C[C@@H](OC)CN1
InChIInChI=1S/C7H15NO2/c1-9-5-6-3-7(10-2)4-8-6/h6-8H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyPPTNZOLRDCBYIX-NKWVEPMBSA-N
XLogP0.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.01
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-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine (CID 13397591) is (2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine is COC[C@@H]1C[C@@H](OC)CN1.
What is the InChIKey of (2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine?
The InChIKey is PPTNZOLRDCBYIX-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NO2/c1-9-5-6-3-7(10-2)4-8-6/h6-8H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine?
(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine has a molecular weight of 145.20 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 13397591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).