[(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium

C26H25N2O2+ — CID 8645206

IUPAC[(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
SMILESO=C1OCC[C@@H]1[NH2+]C[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C26H24N2O2/c29-26-23(15-16-30-26)27-17-21(18-9-3-1-4-10-18)24-20-13-7-8-14-22(20)28-25(24)19-11-5-2-6-12-19/h1-14,21,23,27-28H,15-17H2/p+1/t21-,23+/m1/s1
InChIKeySZTDQLKXOAKGCG-GGAORHGYSA-O
MW397.50 g/mol
LogP3.85
Rot. Bonds6

About [(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium

[(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium (PubChem CID 8645206) has the molecular formula C26H25N2O2+ and a molecular weight of 397.50 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
PubChem CID8645206
Molecular FormulaC26H25N2O2+
Molecular Weight397.50 g/mol
Exact Mass397.19
IUPAC Name[(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
SMILESO=C1OCC[C@@H]1[NH2+]C[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C26H24N2O2/c29-26-23(15-16-30-26)27-17-21(18-9-3-1-4-10-18)24-20-13-7-8-14-22(20)28-25(24)19-11-5-2-6-12-19/h1-14,21,23,27-28H,15-17H2/p+1/t21-,23+/m1/s1
InChIKeySZTDQLKXOAKGCG-GGAORHGYSA-O
XLogP3.85
TPSA58.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium?
The IUPAC name of [(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium (CID 8645206) is [(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium is O=C1OCC[C@@H]1[NH2+]C[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium?
The InChIKey is SZTDQLKXOAKGCG-GGAORHGYSA-O. The full InChI is InChI=1S/C26H24N2O2/c29-26-23(15-16-30-26)27-17-21(18-9-3-1-4-10-18)24-20-13-7-8-14-22(20)28-25(24)19-11-5-2-6-12-19/h1-14,21,23,27-28H,15-17H2/p+1/t21-,23+/m1/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium?
[(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium has a molecular weight of 397.50 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl]-[(2R)-2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium is sourced from PubChem (CID 8645206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).