methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate

C12H15NO5 — CID 106955156

IUPACmethyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate
SMILESCOC(=O)c1ccc(N)cc1OC(C)C(=O)OC
InChIInChI=1S/C12H15NO5/c1-7(11(14)16-2)18-10-6-8(13)4-5-9(10)12(15)17-3/h4-7H,13H2,1-3H3
InChIKeyYUWQTHGGXPGEHG-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.00
Rot. Bonds4

About methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate

methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate (PubChem CID 106955156) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate
PubChem CID106955156
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Namemethyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate
SMILESCOC(=O)c1ccc(N)cc1OC(C)C(=O)OC
InChIInChI=1S/C12H15NO5/c1-7(11(14)16-2)18-10-6-8(13)4-5-9(10)12(15)17-3/h4-7H,13H2,1-3H3
InChIKeyYUWQTHGGXPGEHG-UHFFFAOYSA-N
XLogP1.00
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid
CID 106955759
methyl 4-amino-2-(3-amino-2-methyl-3-oxopropoxy)benzoate
CID 106954975
methyl 5-amino-2-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoate
CID 106955681
methyl 4-amino-2-(3-hydroxy-2-methylpropoxy)benzoate
CID 106955001
4-amino-2-propan-2-yloxybenzamide
CID 53495725
methyl 4-amino-2-[2-(methylamino)-2-oxoethoxy]benzoate
CID 106955114
methyl 4-amino-2-sulfanylbenzoate
CID 91874278
methyl 4-amino-2-[butan-2-yl(methyl)sulfamoyl]benzoate
CID 102930902
methyl 4-amino-2-(3,3-dimethylbutoxy)benzoate
CID 106955056
methyl 5-amino-2-(4-amino-2-methoxycarbonylphenyl)benzoate
CID 11109368
methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate
CID 106955060
methyl 5-amino-2-(1-phenylethoxy)benzoate
CID 61306335

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate?
The IUPAC name of methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate (CID 106955156) is methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate.
What is the SMILES notation for methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate?
The canonical SMILES for methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate is COC(=O)c1ccc(N)cc1OC(C)C(=O)OC.
What is the InChIKey of methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate?
The InChIKey is YUWQTHGGXPGEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-7(11(14)16-2)18-10-6-8(13)4-5-9(10)12(15)17-3/h4-7H,13H2,1-3H3.
What are the key properties of methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate?
methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate has a molecular weight of 253.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(1-methoxy-1-oxopropan-2-yl)oxybenzoate is sourced from PubChem (CID 106955156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).