benzylazanium;(2R)-2-phenylpropanoate

C16H19NO2 — CID 139061083

IUPACbenzylazanium;(2R)-2-phenylpropanoate
SMILESC[C@@H](C(=O)[O-])c1ccccc1.[NH3+]Cc1ccccc1
InChIInChI=1S/C9H10O2.C7H9N/c1-7(9(10)11)8-5-3-2-4-6-8;8-6-7-4-2-1-3-5-7/h2-7H,1H3,(H,10,11);1-5H,6,8H2/t7-;/m1./s1
InChIKeyUBJBLTOPULLCAW-OGFXRTJISA-N
MW257.33 g/mol
LogP0.97
Rot. Bonds3

About benzylazanium;(2R)-2-phenylpropanoate

benzylazanium;(2R)-2-phenylpropanoate (PubChem CID 139061083) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is benzylazanium;(2R)-2-phenylpropanoate.

Molecular Properties

Compound Namebenzylazanium;(2R)-2-phenylpropanoate
PubChem CID139061083
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namebenzylazanium;(2R)-2-phenylpropanoate
SMILESC[C@@H](C(=O)[O-])c1ccccc1.[NH3+]Cc1ccccc1
InChIInChI=1S/C9H10O2.C7H9N/c1-7(9(10)11)8-5-3-2-4-6-8;8-6-7-4-2-1-3-5-7/h2-7H,1H3,(H,10,11);1-5H,6,8H2/t7-;/m1./s1
InChIKeyUBJBLTOPULLCAW-OGFXRTJISA-N
XLogP0.97
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azanium 2-phenylpropanoate
CID 146635852
cesium 2-phenylpropanoate
CID 23721405
benzylazanium;[(1R)-1-phenylethyl]azanium;[(1S)-1-phenylethyl]azanium
CID 158819459
(2S)-2-(4-bromophenyl)propanoate;[(1R)-1-phenylethyl]azanium
CID 86609664
1-(4-ethylphenyl)-2-phenylpropan-1-one
CID 14686087
(3S)-3-phenylbutanoate
CID 6950118
potassium;2-[4-(2-methylpropyl)phenyl]propanoate;2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 46175191
[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium;(2S)-2-phenylpropanoate
CID 11174060
(2R,3R)-2-azaniumyl-3-phenylbutanoate
CID 6951461
(2S)-2,3-diphenylpropanoate
CID 6993748
sodium (2S)-2-(3-benzoylphenyl)propanoate
CID 67762789
2-phenylpropanoic acid;hydrate
CID 139796091

Frequently Asked Questions

What is the IUPAC name of benzylazanium;(2R)-2-phenylpropanoate?
The IUPAC name of benzylazanium;(2R)-2-phenylpropanoate (CID 139061083) is benzylazanium;(2R)-2-phenylpropanoate.
What is the SMILES notation for benzylazanium;(2R)-2-phenylpropanoate?
The canonical SMILES for benzylazanium;(2R)-2-phenylpropanoate is C[C@@H](C(=O)[O-])c1ccccc1.[NH3+]Cc1ccccc1.
What is the InChIKey of benzylazanium;(2R)-2-phenylpropanoate?
The InChIKey is UBJBLTOPULLCAW-OGFXRTJISA-N. The full InChI is InChI=1S/C9H10O2.C7H9N/c1-7(9(10)11)8-5-3-2-4-6-8;8-6-7-4-2-1-3-5-7/h2-7H,1H3,(H,10,11);1-5H,6,8H2/t7-;/m1./s1.
What are the key properties of benzylazanium;(2R)-2-phenylpropanoate?
benzylazanium;(2R)-2-phenylpropanoate has a molecular weight of 257.33 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylazanium;(2R)-2-phenylpropanoate is sourced from PubChem (CID 139061083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).