[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium

C16H18NO2+ — CID 6931648

IUPAC[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium
SMILES[NH3+][C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO2/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2/p+1/t15-/m0/s1
InChIKeyFPRSPUHXEPWUBZ-HNNXBMFYSA-O
MW256.32 g/mol
LogP1.58
Rot. Bonds5

About [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium

[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium (PubChem CID 6931648) has the molecular formula C16H18NO2+ and a molecular weight of 256.32 g/mol. Its IUPAC name is [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium
PubChem CID6931648
Molecular FormulaC16H18NO2+
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium
SMILES[NH3+][C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO2/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2/p+1/t15-/m0/s1
InChIKeyFPRSPUHXEPWUBZ-HNNXBMFYSA-O
XLogP1.58
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium?
The IUPAC name of [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium (CID 6931648) is [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium?
The canonical SMILES for [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium is [NH3+][C@@H](Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium?
The InChIKey is FPRSPUHXEPWUBZ-HNNXBMFYSA-O. The full InChI is InChI=1S/C16H17NO2/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2/p+1/t15-/m0/s1.
What are the key properties of [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium?
[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium has a molecular weight of 256.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]azanium is sourced from PubChem (CID 6931648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).