(3R)-3-(trideuteriomethoxy)pyrrolidine

C5H11NO — CID 165149976

IUPAC(3R)-3-(trideuteriomethoxy)pyrrolidine
SMILES[2H]C([2H])([2H])O[C@@H]1CCNC1
InChIInChI=1S/C5H11NO/c1-7-5-2-3-6-4-5/h5-6H,2-4H2,1H3/t5-/m1/s1/i1D3
InChIKeyBWRWNUQAQPAYCK-YXLFGOCJSA-N
MW104.17 g/mol
LogP-0.01
Rot. Bonds2

About (3R)-3-(trideuteriomethoxy)pyrrolidine

(3R)-3-(trideuteriomethoxy)pyrrolidine (PubChem CID 165149976) has the molecular formula C5H11NO and a molecular weight of 104.17 g/mol. Its IUPAC name is (3R)-3-(trideuteriomethoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(trideuteriomethoxy)pyrrolidine
PubChem CID165149976
Molecular FormulaC5H11NO
Molecular Weight104.17 g/mol
Exact Mass104.10
IUPAC Name(3R)-3-(trideuteriomethoxy)pyrrolidine
SMILES[2H]C([2H])([2H])O[C@@H]1CCNC1
InChIInChI=1S/C5H11NO/c1-7-5-2-3-6-4-5/h5-6H,2-4H2,1H3/t5-/m1/s1/i1D3
InChIKeyBWRWNUQAQPAYCK-YXLFGOCJSA-N
XLogP-0.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-(trideuteriomethoxy)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-methoxypyrrolidine;hydrate
CID 164870177
ethene;(3S)-3-methoxypyrrolidine
CID 145336336
azetidine;3-methoxypyrrolidine
CID 143553472
3-(trideuteriomethoxy)azetidine;hydrochloride
CID 157244485
(3S)-3-ethoxypyrrolidine
CID 11116030
3-ethoxypyrrolidine
CID 21333172
3-methoxypiperidine;hydrochloride
CID 23142000
(3S)-3-methoxypiperidine;sulfane;hydrochloride
CID 157461038
ethane;3-ethoxypyrrolidine
CID 142624915
3-(azetidin-3-yloxy)pyrrolidine;dihydrochloride
CID 155893811
(3R)-3-(3-methylbutan-2-yloxy)pyrrolidine
CID 115460465
(3R)-3-propoxypyrrolidine;hydrochloride
CID 138393556

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(trideuteriomethoxy)pyrrolidine?
The IUPAC name of (3R)-3-(trideuteriomethoxy)pyrrolidine (CID 165149976) is (3R)-3-(trideuteriomethoxy)pyrrolidine.
What is the SMILES notation for (3R)-3-(trideuteriomethoxy)pyrrolidine?
The canonical SMILES for (3R)-3-(trideuteriomethoxy)pyrrolidine is [2H]C([2H])([2H])O[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-(trideuteriomethoxy)pyrrolidine?
The InChIKey is BWRWNUQAQPAYCK-YXLFGOCJSA-N. The full InChI is InChI=1S/C5H11NO/c1-7-5-2-3-6-4-5/h5-6H,2-4H2,1H3/t5-/m1/s1/i1D3.
What are the key properties of (3R)-3-(trideuteriomethoxy)pyrrolidine?
(3R)-3-(trideuteriomethoxy)pyrrolidine has a molecular weight of 104.17 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(trideuteriomethoxy)pyrrolidine is sourced from PubChem (CID 165149976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).