[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride

C10H14ClNO2 — CID 11138497

IUPAC[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride
SMILESCOC(=O)[C@@H]([NH3+])Cc1ccccc1.[Cl-]
InChIInChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1
InChIKeySWVMLNPDTIFDDY-FVGYRXGTSA-N
MW215.68 g/mol
LogP-2.98
Rot. Bonds3

About [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride

[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride (PubChem CID 11138497) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride
PubChem CID11138497
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride
SMILESCOC(=O)[C@@H]([NH3+])Cc1ccccc1.[Cl-]
InChIInChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1
InChIKeySWVMLNPDTIFDDY-FVGYRXGTSA-N
XLogP-2.98
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 5-2.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-oxo-3-phenyl-1-propan-2-yloxypropan-2-yl)azanium chloride
CID 2827639
[(2S)-3-(4-iodophenyl)-1-methoxy-1-oxopropan-2-yl]azanium chloride
CID 10569268
[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]azanium chloride
CID 11771429
[(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium
CID 7020806
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 23548413
[(2S)-3-[4-(difluoromethoxy)phenyl]-1-methoxy-1-oxopropan-2-yl]azanium
CID 2341976
methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467
methyl (2R,3R)-2,3-dimethyl-4-phenylbutanoate
CID 170849387
methyl 2-benzyl-3-oxobutanoate
CID 10679785
methyl (3S)-2,3-dihydroxy-4-phenylbutanoate
CID 129084711

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride?
The IUPAC name of [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride (CID 11138497) is [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride.
What is the SMILES notation for [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride?
The canonical SMILES for [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride is COC(=O)[C@@H]([NH3+])Cc1ccccc1.[Cl-].
What is the InChIKey of [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride?
The InChIKey is SWVMLNPDTIFDDY-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1.
What are the key properties of [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride?
[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride has a molecular weight of 215.68 g/mol, XLogP of -2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride is sourced from PubChem (CID 11138497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).