(2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine

C30H29NO2 — CID 134985606

IUPAC(2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine
SMILESCOCOC[C@@H]1[C@@H](c2ccccc2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29NO2/c1-32-23-33-22-28-29(24-14-6-2-7-15-24)31(28)30(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21,28-29H,22-23H2,1H3/t28-,29-,31?/m1/s1
InChIKeyVCKJZUOXLZDMQK-FYZJSYNQSA-N
MW435.57 g/mol
LogP6.02
Rot. Bonds9

About (2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine

(2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine (PubChem CID 134985606) has the molecular formula C30H29NO2 and a molecular weight of 435.57 g/mol. Its IUPAC name is (2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine.

Molecular Properties

Compound Name(2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine
PubChem CID134985606
Molecular FormulaC30H29NO2
Molecular Weight435.57 g/mol
Exact Mass435.22
IUPAC Name(2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine
SMILESCOCOC[C@@H]1[C@@H](c2ccccc2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29NO2/c1-32-23-33-22-28-29(24-14-6-2-7-15-24)31(28)30(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21,28-29H,22-23H2,1H3/t28-,29-,31?/m1/s1
InChIKeyVCKJZUOXLZDMQK-FYZJSYNQSA-N
XLogP6.02
TPSA21.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 56.02
H-Bond Donors ≤ 50
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
2-(diethoxymethyl)-5-fluoro-1-trityl-2H-pyridine
CID 141427845
(2S,3R)-2-chloro-3-(methoxymethoxymethyl)-1-tritylaziridine
CID 11132987
(S)-N,N-Dibenzyl-3,3-diethoxy-1-phenylpropan-1-amine
CID 86278536
(2R,3R)-2-ethenyl-3-(phenylmethoxymethyl)-1-tritylaziridine
CID 102054852
2-[(2S,3S)-3-benzyl-1-tritylaziridin-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 102380256
N,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine
CID 102456514
tributyl-[(2S,3R)-3-(methoxymethoxy)-1-tritylaziridin-2-yl]stannane
CID 134883974
(3R)-2-(methoxymethoxymethyl)-3-tritylaziridine
CID 134905501
ethyl (2R,3R)-1-benzhydryl-2-benzyl-3-phenylaziridine-2-carboxylate
CID 135014176
tributyl-[(2S)-3-(methoxymethoxymethyl)-1-tritylaziridin-2-yl]stannane
CID 135050729
N,N-dibenzyl-1-(4-fluorophenyl)-2,2-dimethoxyethanamine
CID 71490599

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine?
The IUPAC name of (2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine (CID 134985606) is (2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine.
What is the SMILES notation for (2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine?
The canonical SMILES for (2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine is COCOC[C@@H]1[C@@H](c2ccccc2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine?
The InChIKey is VCKJZUOXLZDMQK-FYZJSYNQSA-N. The full InChI is InChI=1S/C30H29NO2/c1-32-23-33-22-28-29(24-14-6-2-7-15-24)31(28)30(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21,28-29H,22-23H2,1H3/t28-,29-,31?/m1/s1.
What are the key properties of (2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine?
(2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine has a molecular weight of 435.57 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(methoxymethoxymethyl)-3-phenyl-1-tritylaziridine is sourced from PubChem (CID 134985606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).