(2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine

C34H37NO3 — CID 72707770

IUPAC(2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine
SMILESC[C@H](c1ccccc1)N1C[C@@H]1[C@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C34H37NO3/c1-27(31-20-12-5-13-21-31)35-22-32(35)34(38-25-30-18-10-4-11-19-30)33(37-24-29-16-8-3-9-17-29)26-36-23-28-14-6-2-7-15-28/h2-21,27,32-34H,22-26H2,1H3/t27-,32-,33+,34+,35?/m1/s1
InChIKeyAJEFSXLPAAFVCH-KBOMPYSESA-N
MW507.67 g/mol
LogP6.82
Rot. Bonds14

About (2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine

(2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine (PubChem CID 72707770) has the molecular formula C34H37NO3 and a molecular weight of 507.67 g/mol. Its IUPAC name is (2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine.

Molecular Properties

Compound Name(2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine
PubChem CID72707770
Molecular FormulaC34H37NO3
Molecular Weight507.67 g/mol
Exact Mass507.28
IUPAC Name(2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine
SMILESC[C@H](c1ccccc1)N1C[C@@H]1[C@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C34H37NO3/c1-27(31-20-12-5-13-21-31)35-22-32(35)34(38-25-30-18-10-4-11-19-30)33(37-24-29-16-8-3-9-17-29)26-36-23-28-14-6-2-7-15-28/h2-21,27,32-34H,22-26H2,1H3/t27-,32-,33+,34+,35?/m1/s1
InChIKeyAJEFSXLPAAFVCH-KBOMPYSESA-N
XLogP6.82
TPSA30.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.67
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine?
The IUPAC name of (2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine (CID 72707770) is (2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine.
What is the SMILES notation for (2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine?
The canonical SMILES for (2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine is C[C@H](c1ccccc1)N1C[C@@H]1[C@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine?
The InChIKey is AJEFSXLPAAFVCH-KBOMPYSESA-N. The full InChI is InChI=1S/C34H37NO3/c1-27(31-20-12-5-13-21-31)35-22-32(35)34(38-25-30-18-10-4-11-19-30)33(37-24-29-16-8-3-9-17-29)26-36-23-28-14-6-2-7-15-28/h2-21,27,32-34H,22-26H2,1H3/t27-,32-,33+,34+,35?/m1/s1.
What are the key properties of (2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine?
(2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine has a molecular weight of 507.67 g/mol, XLogP of 6.82, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1R)-1-phenylethyl]-2-[(1S,2S)-1,2,3-tris(phenylmethoxy)propyl]aziridine is sourced from PubChem (CID 72707770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).