potassium 2-amino-2-(3-benzoylphenyl)acetate

C15H12KNO3 — CID 23717364

IUPACpotassium 2-amino-2-(3-benzoylphenyl)acetate
SMILESNC(C(=O)[O-])c1cccc(C(=O)c2ccccc2)c1.[K+]
InChIInChI=1S/C15H13NO3.K/c16-13(15(18)19)11-7-4-8-12(9-11)14(17)10-5-2-1-3-6-10;/h1-9,13H,16H2,(H,18,19);/q;+1/p-1
InChIKeyWWWBQYIKHSZNEY-UHFFFAOYSA-M
MW293.36 g/mol
LogP-2.33
Rot. Bonds4

About potassium 2-amino-2-(3-benzoylphenyl)acetate

potassium 2-amino-2-(3-benzoylphenyl)acetate (PubChem CID 23717364) has the molecular formula C15H12KNO3 and a molecular weight of 293.36 g/mol. Its IUPAC name is potassium 2-amino-2-(3-benzoylphenyl)acetate.

Molecular Properties

Compound Namepotassium 2-amino-2-(3-benzoylphenyl)acetate
PubChem CID23717364
Molecular FormulaC15H12KNO3
Molecular Weight293.36 g/mol
Exact Mass293.05
IUPAC Namepotassium 2-amino-2-(3-benzoylphenyl)acetate
SMILESNC(C(=O)[O-])c1cccc(C(=O)c2ccccc2)c1.[K+]
InChIInChI=1S/C15H13NO3.K/c16-13(15(18)19)11-7-4-8-12(9-11)14(17)10-5-2-1-3-6-10;/h1-9,13H,16H2,(H,18,19);/q;+1/p-1
InChIKeyWWWBQYIKHSZNEY-UHFFFAOYSA-M
XLogP-2.33
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 5-2.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium (2S)-2-(3-benzoylphenyl)propanoate
CID 67762789
1-aminoethylideneazanium;2-(3-benzoylphenyl)propanoate
CID 158675776
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
CID 66964934
CID 66964934
2-(3-benzoylphenyl)-3-methylbutanoic acid
CID 134119890
CID 157056025
CID 157056025
propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate
CID 129318918
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate
CID 123740541
2-(3-benzoylphenyl)-3-iodopropanoic acid
CID 67699096
(3-aminophenyl)-phenylmethanone
CID 17817

Frequently Asked Questions

What is the IUPAC name of potassium 2-amino-2-(3-benzoylphenyl)acetate?
The IUPAC name of potassium 2-amino-2-(3-benzoylphenyl)acetate (CID 23717364) is potassium 2-amino-2-(3-benzoylphenyl)acetate.
What is the SMILES notation for potassium 2-amino-2-(3-benzoylphenyl)acetate?
The canonical SMILES for potassium 2-amino-2-(3-benzoylphenyl)acetate is NC(C(=O)[O-])c1cccc(C(=O)c2ccccc2)c1.[K+].
What is the InChIKey of potassium 2-amino-2-(3-benzoylphenyl)acetate?
The InChIKey is WWWBQYIKHSZNEY-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13NO3.K/c16-13(15(18)19)11-7-4-8-12(9-11)14(17)10-5-2-1-3-6-10;/h1-9,13H,16H2,(H,18,19);/q;+1/p-1.
What are the key properties of potassium 2-amino-2-(3-benzoylphenyl)acetate?
potassium 2-amino-2-(3-benzoylphenyl)acetate has a molecular weight of 293.36 g/mol, XLogP of -2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-amino-2-(3-benzoylphenyl)acetate is sourced from PubChem (CID 23717364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).