[(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate

C19H21NO2 — CID 134939139

IUPAC[(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate
SMILESC[C@H](c1ccccc1)N1C[C@@H]1C(=O)O[C@H](C)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-14(16-9-5-3-6-10-16)20-13-18(20)19(21)22-15(2)17-11-7-4-8-12-17/h3-12,14-15,18H,13H2,1-2H3/t14-,15-,18-,20?/m1/s1
InChIKeyJJCQCRAKWPKCNO-JIIKTZOOSA-N
MW295.38 g/mol
LogP3.74
Rot. Bonds5

About [(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate

[(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate (PubChem CID 134939139) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate
PubChem CID134939139
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name[(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate
SMILESC[C@H](c1ccccc1)N1C[C@@H]1C(=O)O[C@H](C)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-14(16-9-5-3-6-10-16)20-13-18(20)19(21)22-15(2)17-11-7-4-8-12-17/h3-12,14-15,18H,13H2,1-2H3/t14-,15-,18-,20?/m1/s1
InChIKeyJJCQCRAKWPKCNO-JIIKTZOOSA-N
XLogP3.74
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.74
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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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate?
The IUPAC name of [(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate (CID 134939139) is [(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate.
What is the SMILES notation for [(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate?
The canonical SMILES for [(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate is C[C@H](c1ccccc1)N1C[C@@H]1C(=O)O[C@H](C)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate?
The InChIKey is JJCQCRAKWPKCNO-JIIKTZOOSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14(16-9-5-3-6-10-16)20-13-18(20)19(21)22-15(2)17-11-7-4-8-12-17/h3-12,14-15,18H,13H2,1-2H3/t14-,15-,18-,20?/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate?
[(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate is sourced from PubChem (CID 134939139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).