methyl 3-carbamoyl-4-trimethylsilyloxybenzoate

C12H17NO4Si — CID 167736189

IUPACmethyl 3-carbamoyl-4-trimethylsilyloxybenzoate
SMILESCOC(=O)c1ccc(O[Si](C)(C)C)c(C(N)=O)c1
InChIInChI=1S/C12H17NO4Si/c1-16-12(15)8-5-6-10(17-18(2,3)4)9(7-8)11(13)14/h5-7H,1-4H3,(H2,13,14)
InChIKeyFPFUWDPMQOZHNR-UHFFFAOYSA-N
MW267.36 g/mol
LogP1.79
Rot. Bonds4

About methyl 3-carbamoyl-4-trimethylsilyloxybenzoate

methyl 3-carbamoyl-4-trimethylsilyloxybenzoate (PubChem CID 167736189) has the molecular formula C12H17NO4Si and a molecular weight of 267.36 g/mol. Its IUPAC name is methyl 3-carbamoyl-4-trimethylsilyloxybenzoate.

Molecular Properties

Compound Namemethyl 3-carbamoyl-4-trimethylsilyloxybenzoate
PubChem CID167736189
Molecular FormulaC12H17NO4Si
Molecular Weight267.36 g/mol
Exact Mass267.09
IUPAC Namemethyl 3-carbamoyl-4-trimethylsilyloxybenzoate
SMILESCOC(=O)c1ccc(O[Si](C)(C)C)c(C(N)=O)c1
InChIInChI=1S/C12H17NO4Si/c1-16-12(15)8-5-6-10(17-18(2,3)4)9(7-8)11(13)14/h5-7H,1-4H3,(H2,13,14)
InChIKeyFPFUWDPMQOZHNR-UHFFFAOYSA-N
XLogP1.79
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3,4-bis(trimethylsilyloxy)benzoate
CID 606219
methyl 4-carbamoyl-3-chlorobenzoate
CID 171338558
methyl 3-[(E)-N'-hydroxycarbamimidoyl]-4-methoxybenzoate
CID 51063639
methyl 3-acetyl-4-methoxybenzoate
CID 10798398
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
4-amino-3-trimethylsilyloxybenzamide
CID 167720584
dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate
CID 173255270
methyl 4-iodo-2-trimethylsilyloxybenzoate
CID 167737475
dimethyl 4-acetylbenzene-1,3-dicarboxylate
CID 69333095
ethane;4-methoxycarbonylphthalic acid
CID 143938031
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
dimethyl 4-(1-phenyltetrazol-5-yl)oxybenzene-1,3-dicarboxylate
CID 4969452

Frequently Asked Questions

What is the IUPAC name of methyl 3-carbamoyl-4-trimethylsilyloxybenzoate?
The IUPAC name of methyl 3-carbamoyl-4-trimethylsilyloxybenzoate (CID 167736189) is methyl 3-carbamoyl-4-trimethylsilyloxybenzoate.
What is the SMILES notation for methyl 3-carbamoyl-4-trimethylsilyloxybenzoate?
The canonical SMILES for methyl 3-carbamoyl-4-trimethylsilyloxybenzoate is COC(=O)c1ccc(O[Si](C)(C)C)c(C(N)=O)c1.
What is the InChIKey of methyl 3-carbamoyl-4-trimethylsilyloxybenzoate?
The InChIKey is FPFUWDPMQOZHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4Si/c1-16-12(15)8-5-6-10(17-18(2,3)4)9(7-8)11(13)14/h5-7H,1-4H3,(H2,13,14).
What are the key properties of methyl 3-carbamoyl-4-trimethylsilyloxybenzoate?
methyl 3-carbamoyl-4-trimethylsilyloxybenzoate has a molecular weight of 267.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-carbamoyl-4-trimethylsilyloxybenzoate is sourced from PubChem (CID 167736189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).