[(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium

C12H18NO2+ — CID 162451826

IUPAC[(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium
SMILESCOC(=O)CC[C@@H]([NH3+])Cc1ccccc1
InChIInChI=1S/C12H17NO2/c1-15-12(14)8-7-11(13)9-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3/p+1/t11-/m1/s1
InChIKeyGNTXIYNIBVBPJG-LLVKDONJSA-O
MW208.28 g/mol
LogP0.79
Rot. Bonds5

About [(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium

[(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium (PubChem CID 162451826) has the molecular formula C12H18NO2+ and a molecular weight of 208.28 g/mol. Its IUPAC name is [(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium
PubChem CID162451826
Molecular FormulaC12H18NO2+
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name[(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium
SMILESCOC(=O)CC[C@@H]([NH3+])Cc1ccccc1
InChIInChI=1S/C12H17NO2/c1-15-12(14)8-7-11(13)9-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3/p+1/t11-/m1/s1
InChIKeyGNTXIYNIBVBPJG-LLVKDONJSA-O
XLogP0.79
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride
CID 120705550
methyl 4-methylpentanoate;methyl 3-phenylpropanoate
CID 174923229
1-O-benzyl 5-O-methyl (2S)-2-aminopentanedioate
CID 56777388
methyl 10-amino-11-phenylundecanoate;hydrochloride
CID 141254127
methyl 6-benzylundecanoate
CID 58960739
methyl (4S)-5-(4-hydroxyphenyl)-4-phenylpentanoate
CID 125467308
[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride
CID 11138497
methyl (3R)-3-methyl-4-phenylbutanoate
CID 641406
methyl 5,5-diphenylpentanoate
CID 10923549
methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate
CID 69428404
1,3-diphenylpropan-2-ylazanium chloride
CID 67842912
(3-methoxy-3-oxopropyl)-triphenylphosphanium
CID 6332300

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium?
The IUPAC name of [(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium (CID 162451826) is [(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium.
What is the SMILES notation for [(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium?
The canonical SMILES for [(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium is COC(=O)CC[C@@H]([NH3+])Cc1ccccc1.
What is the InChIKey of [(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium?
The InChIKey is GNTXIYNIBVBPJG-LLVKDONJSA-O. The full InChI is InChI=1S/C12H17NO2/c1-15-12(14)8-7-11(13)9-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3/p+1/t11-/m1/s1.
What are the key properties of [(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium?
[(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium has a molecular weight of 208.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium is sourced from PubChem (CID 162451826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).