[(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride

C9H12ClNO2 — CID 10856539

IUPAC[(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride
SMILESCOC(=O)[C@H]([NH3+])c1ccccc1.[Cl-]
InChIInChI=1S/C9H11NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h2-6,8H,10H2,1H3;1H/t8-;/m1./s1
InChIKeyDTHMTBUWTGVEFG-DDWIOCJRSA-N
MW201.65 g/mol
LogP-2.85
Rot. Bonds2

About [(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride

[(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride (PubChem CID 10856539) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is [(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride.

Molecular Properties

Compound Name[(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride
PubChem CID10856539
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name[(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride
SMILESCOC(=O)[C@H]([NH3+])c1ccccc1.[Cl-]
InChIInChI=1S/C9H11NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h2-6,8H,10H2,1H3;1H/t8-;/m1./s1
InChIKeyDTHMTBUWTGVEFG-DDWIOCJRSA-N
XLogP-2.85
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 5-2.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 4656134
[(1R)-1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 7067068
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
(2-chloro-2-oxo-1-phenylethyl)azanium chloride
CID 53420366
methyl 2-deuterio-2-phenylpropanoate
CID 11984149
methyl 2-methyl-3,3-diphenylpropanoate
CID 14089584
methyl (2R,3R)-2,3-dibromo-3-phenylpropanoate
CID 6994239
[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride
CID 11138497
methyl 2-hydroxy-3-phenylbutanoate
CID 14023743
methyl 3-chloro-3-oxo-2-phenylpropanoate
CID 12726479
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride?
The IUPAC name of [(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride (CID 10856539) is [(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride.
What is the SMILES notation for [(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride?
The canonical SMILES for [(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride is COC(=O)[C@H]([NH3+])c1ccccc1.[Cl-].
What is the InChIKey of [(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride?
The InChIKey is DTHMTBUWTGVEFG-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h2-6,8H,10H2,1H3;1H/t8-;/m1./s1.
What are the key properties of [(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride?
[(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride has a molecular weight of 201.65 g/mol, XLogP of -2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride is sourced from PubChem (CID 10856539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).