(3R)-2-(methoxymethoxymethyl)-3-tritylaziridine

C24H25NO2 — CID 134905501

IUPAC(3R)-2-(methoxymethoxymethyl)-3-tritylaziridine
SMILESCOCOCC1N[C@@H]1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO2/c1-26-18-27-17-22-23(25-22)24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-23,25H,17-18H2,1H3/t22?,23-/m0/s1
InChIKeyFWUDZZBCDSVLGW-WCSIJFPASA-N
MW359.47 g/mol
LogP3.98
Rot. Bonds8

About (3R)-2-(methoxymethoxymethyl)-3-tritylaziridine

(3R)-2-(methoxymethoxymethyl)-3-tritylaziridine (PubChem CID 134905501) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3R)-2-(methoxymethoxymethyl)-3-tritylaziridine.

Molecular Properties

Compound Name(3R)-2-(methoxymethoxymethyl)-3-tritylaziridine
PubChem CID134905501
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(3R)-2-(methoxymethoxymethyl)-3-tritylaziridine
SMILESCOCOCC1N[C@@H]1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO2/c1-26-18-27-17-22-23(25-22)24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-23,25H,17-18H2,1H3/t22?,23-/m0/s1
InChIKeyFWUDZZBCDSVLGW-WCSIJFPASA-N
XLogP3.98
TPSA40.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(3R)-2,2-bis(4-fluorophenyl)-3-[(methoxymethoxy)methyl]aziridine
CID 44139114
(2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine
CID 134985606
(2R,3S,4S,5R)-5-N-benzyl-3,4-bis(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine
CID 57269667
Ethyl (5-tritylpyrrolidin-3-yl) carbonate
CID 68076434
(5-Benzhydrylpyrrolidin-3-yl) methyl carbonate
CID 68076587
[(3R,5S)-5-benzhydrylpyrrolidin-3-yl] methyl carbonate
CID 89758946
[(3S,5R)-5-benzhydrylpyrrolidin-3-yl] ethyl carbonate
CID 89758948
[(3R,5R)-5-benzhydrylpyrrolidin-3-yl] butyl carbonate
CID 89758949
[(3R,5R)-5-benzhydrylpyrrolidin-3-yl] propan-2-yl carbonate
CID 89758951
[(3R,5S)-5-[bis(4-tert-butylphenyl)methyl]pyrrolidin-3-yl] methyl carbonate
CID 89758956
[(3S,5S)-5-benzhydrylpyrrolidin-3-yl] propyl carbonate
CID 89758962
[(3R,5R)-5-[bis(4-tert-butylphenyl)methyl]pyrrolidin-3-yl] butyl carbonate
CID 89758966

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(methoxymethoxymethyl)-3-tritylaziridine?
The IUPAC name of (3R)-2-(methoxymethoxymethyl)-3-tritylaziridine (CID 134905501) is (3R)-2-(methoxymethoxymethyl)-3-tritylaziridine.
What is the SMILES notation for (3R)-2-(methoxymethoxymethyl)-3-tritylaziridine?
The canonical SMILES for (3R)-2-(methoxymethoxymethyl)-3-tritylaziridine is COCOCC1N[C@@H]1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-2-(methoxymethoxymethyl)-3-tritylaziridine?
The InChIKey is FWUDZZBCDSVLGW-WCSIJFPASA-N. The full InChI is InChI=1S/C24H25NO2/c1-26-18-27-17-22-23(25-22)24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-23,25H,17-18H2,1H3/t22?,23-/m0/s1.
What are the key properties of (3R)-2-(methoxymethoxymethyl)-3-tritylaziridine?
(3R)-2-(methoxymethoxymethyl)-3-tritylaziridine has a molecular weight of 359.47 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(methoxymethoxymethyl)-3-tritylaziridine is sourced from PubChem (CID 134905501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).