methyl 1,3-diphenylaziridine-2-carboxylate

C16H15NO2 — CID 10634635

IUPACmethyl 1,3-diphenylaziridine-2-carboxylate
SMILESCOC(=O)C1C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-16(18)15-14(12-8-4-2-5-9-12)17(15)13-10-6-3-7-11-13/h2-11,14-15H,1H3
InChIKeyRWATZYUXKPXTBB-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.79
Rot. Bonds3

About methyl 1,3-diphenylaziridine-2-carboxylate

methyl 1,3-diphenylaziridine-2-carboxylate (PubChem CID 10634635) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 1,3-diphenylaziridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-diphenylaziridine-2-carboxylate
PubChem CID10634635
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namemethyl 1,3-diphenylaziridine-2-carboxylate
SMILESCOC(=O)C1C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-16(18)15-14(12-8-4-2-5-9-12)17(15)13-10-6-3-7-11-13/h2-11,14-15H,1H3
InChIKeyRWATZYUXKPXTBB-UHFFFAOYSA-N
XLogP2.79
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741
methyl (2S)-3-(4-aminophenyl)-2-(dibenzylamino)propanoate
CID 168287764
Hexanedioic acid, 1,6-bis(2-(ethyl(3-methylphenyl)amino)ethyl) ester
CID 117800
Methyl 1-benzyl-3-phenylaziridine-2-carboxylate
CID 15749601
N-(2-(Dimethylamino)ethyl)-N,2-diphenylglycine ethyl ester
CID 59242
Glycine, N-(2-(diethylamino)ethyl)-N,2-diphenyl-, ethyl ester
CID 59464
Glycine, N-(2-(diethylamino)ethyl)-N,2-diphenyl-, butyl ester
CID 59710
N-(2-(Diethylamino)ethyl)-N,2-diphenylglycine isopentyl ester
CID 59738
N-(2-(Dimethylamino)ethyl)-N,2-diphenylglycine propyl ester
CID 60416
N-Phenyl-N-phenylacetylaminophenylacetic acid methyl ester
CID 3068539
Glycine, N,2-diphenyl-N-(phenylacetyl)-, ethyl ester
CID 3068543
Carbanilic acid, N-(alpha-carboxybenzyl)-, dimethyl ester
CID 3068544

Frequently Asked Questions

What is the IUPAC name of methyl 1,3-diphenylaziridine-2-carboxylate?
The IUPAC name of methyl 1,3-diphenylaziridine-2-carboxylate (CID 10634635) is methyl 1,3-diphenylaziridine-2-carboxylate.
What is the SMILES notation for methyl 1,3-diphenylaziridine-2-carboxylate?
The canonical SMILES for methyl 1,3-diphenylaziridine-2-carboxylate is COC(=O)C1C(c2ccccc2)N1c1ccccc1.
What is the InChIKey of methyl 1,3-diphenylaziridine-2-carboxylate?
The InChIKey is RWATZYUXKPXTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-16(18)15-14(12-8-4-2-5-9-12)17(15)13-10-6-3-7-11-13/h2-11,14-15H,1H3.
What are the key properties of methyl 1,3-diphenylaziridine-2-carboxylate?
methyl 1,3-diphenylaziridine-2-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-diphenylaziridine-2-carboxylate is sourced from PubChem (CID 10634635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).