potassium (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate

C18H16KNO2 — CID 127036374

IUPACpotassium (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate
SMILESO=C([O-])[C@H](Cc1ccccc1)/N=C/C=C/c1ccccc1.[K+]
InChIInChI=1S/C18H17NO2.K/c20-18(21)17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15;/h1-13,17H,14H2,(H,20,21);/q;+1/p-1/b12-7+,19-13+;/t17-;/m0./s1
InChIKeyKFLMVXNGJDDDBY-JYUVMZAVSA-M
MW317.43 g/mol
LogP-0.86
Rot. Bonds6

About potassium (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate

potassium (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate (PubChem CID 127036374) has the molecular formula C18H16KNO2 and a molecular weight of 317.43 g/mol. Its IUPAC name is potassium (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate.

Molecular Properties

Compound Namepotassium (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate
PubChem CID127036374
Molecular FormulaC18H16KNO2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Namepotassium (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate
SMILESO=C([O-])[C@H](Cc1ccccc1)/N=C/C=C/c1ccccc1.[K+]
InChIInChI=1S/C18H17NO2.K/c20-18(21)17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15;/h1-13,17H,14H2,(H,20,21);/q;+1/p-1/b12-7+,19-13+;/t17-;/m0./s1
InChIKeyKFLMVXNGJDDDBY-JYUVMZAVSA-M
XLogP-0.86
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate?
The IUPAC name of potassium (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate (CID 127036374) is potassium (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate.
What is the SMILES notation for potassium (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate?
The canonical SMILES for potassium (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate is O=C([O-])[C@H](Cc1ccccc1)/N=C/C=C/c1ccccc1.[K+].
What is the InChIKey of potassium (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate?
The InChIKey is KFLMVXNGJDDDBY-JYUVMZAVSA-M. The full InChI is InChI=1S/C18H17NO2.K/c20-18(21)17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15;/h1-13,17H,14H2,(H,20,21);/q;+1/p-1/b12-7+,19-13+;/t17-;/m0./s1.
What are the key properties of potassium (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate?
potassium (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate has a molecular weight of 317.43 g/mol, XLogP of -0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate is sourced from PubChem (CID 127036374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).