methyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate

C24H23NO2 — CID 24865488

IUPACmethyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO2/c1-18-22(23(26)27-2)25(18)24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22H,1-2H3/t18-,22+,25?/m1/s1
InChIKeyBVGNONFOZJRWNA-IIAXJLLOSA-N
MW357.45 g/mol
LogP4.22
Rot. Bonds5

About methyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate

methyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate (PubChem CID 24865488) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is methyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate
PubChem CID24865488
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Namemethyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO2/c1-18-22(23(26)27-2)25(18)24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22H,1-2H3/t18-,22+,25?/m1/s1
InChIKeyBVGNONFOZJRWNA-IIAXJLLOSA-N
XLogP4.22
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate?
The IUPAC name of methyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate (CID 24865488) is methyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate.
What is the SMILES notation for methyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate?
The canonical SMILES for methyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate is COC(=O)[C@@H]1[C@@H](C)N1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate?
The InChIKey is BVGNONFOZJRWNA-IIAXJLLOSA-N. The full InChI is InChI=1S/C24H23NO2/c1-18-22(23(26)27-2)25(18)24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22H,1-2H3/t18-,22+,25?/m1/s1.
What are the key properties of methyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate?
methyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate is sourced from PubChem (CID 24865488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).