[(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium

C13H19N2O5+ — CID 59415691

IUPAC[(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium
SMILESCOC(=O)[C@@H]([NH3+])Cc1ccc(O)c(OC(=O)N(C)C)c1
InChIInChI=1S/C13H18N2O5/c1-15(2)13(18)20-11-7-8(4-5-10(11)16)6-9(14)12(17)19-3/h4-5,7,9,16H,6,14H2,1-3H3/p+1/t9-/m0/s1
InChIKeyBSVMGADKQBLYPB-VIFPVBQESA-O
MW283.30 g/mol
LogP-0.22
Rot. Bonds4

About [(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium

[(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium (PubChem CID 59415691) has the molecular formula C13H19N2O5+ and a molecular weight of 283.30 g/mol. Its IUPAC name is [(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium
PubChem CID59415691
Molecular FormulaC13H19N2O5+
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name[(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium
SMILESCOC(=O)[C@@H]([NH3+])Cc1ccc(O)c(OC(=O)N(C)C)c1
InChIInChI=1S/C13H18N2O5/c1-15(2)13(18)20-11-7-8(4-5-10(11)16)6-9(14)12(17)19-3/h4-5,7,9,16H,6,14H2,1-3H3/p+1/t9-/m0/s1
InChIKeyBSVMGADKQBLYPB-VIFPVBQESA-O
XLogP-0.22
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium 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

[(2S)-3-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]-1-methoxy-1-oxopropan-2-yl]azanium chloride
CID 159689189
methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate
CID 135228474
[(2S)-3-(4-iodophenyl)-1-methoxy-1-oxopropan-2-yl]azanium chloride
CID 10569268
[3-(4-hydroxy-3,5-dimethylphenyl)-1-methoxy-1-oxopropan-2-yl]azanium
CID 23378247
[(2R)-3-(4-hydroxy-3,5-diiodophenyl)-1-methoxy-1-oxopropan-2-yl]azanium
CID 76764107
[(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium
CID 7020806
methyl (3R)-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methylbutanoate
CID 143847693
[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]azanium chloride
CID 11138497
dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate
CID 171933866
N,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide
CID 11960551
methyl (2S)-2-amino-3-[4-hydroxy-3-(trideuteriomethoxy)phenyl]propanoate
CID 71750297
4-(2-azaniumyl-3-methoxy-3-oxopropyl)-2-nitrophenolate
CID 4067595

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium (CID 59415691) is [(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium is COC(=O)[C@@H]([NH3+])Cc1ccc(O)c(OC(=O)N(C)C)c1.
What is the InChIKey of [(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium?
The InChIKey is BSVMGADKQBLYPB-VIFPVBQESA-O. The full InChI is InChI=1S/C13H18N2O5/c1-15(2)13(18)20-11-7-8(4-5-10(11)16)6-9(14)12(17)19-3/h4-5,7,9,16H,6,14H2,1-3H3/p+1/t9-/m0/s1.
What are the key properties of [(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium?
[(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium has a molecular weight of 283.30 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 59415691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).