2-(trimethylsilylmethylcarbamoyl)benzoic acid

C12H17NO3Si — CID 59089159

IUPAC2-(trimethylsilylmethylcarbamoyl)benzoic acid
SMILESC[Si](C)(C)CNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C12H17NO3Si/c1-17(2,3)8-13-11(14)9-6-4-5-7-10(9)12(15)16/h4-7H,8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyATAJRCDQUNDFSW-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.99
Rot. Bonds4

About 2-(trimethylsilylmethylcarbamoyl)benzoic acid

2-(trimethylsilylmethylcarbamoyl)benzoic acid (PubChem CID 59089159) has the molecular formula C12H17NO3Si and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-(trimethylsilylmethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(trimethylsilylmethylcarbamoyl)benzoic acid
PubChem CID59089159
Molecular FormulaC12H17NO3Si
Molecular Weight251.36 g/mol
Exact Mass251.10
IUPAC Name2-(trimethylsilylmethylcarbamoyl)benzoic acid
SMILESC[Si](C)(C)CNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C12H17NO3Si/c1-17(2,3)8-13-11(14)9-6-4-5-7-10(9)12(15)16/h4-7H,8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyATAJRCDQUNDFSW-UHFFFAOYSA-N
XLogP1.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(acetamidomethylcarbamoyl)benzoic acid
CID 170089570
2-(bromomethyl)-N-(trimethylsilylmethyl)benzamide
CID 174748675
2-[6-[(2-carboxybenzoyl)amino]hexylcarbamoyl]benzoic acid
CID 3829688
2-(ethylcarbamoyl)benzoic acid;propan-2-one
CID 90945559
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]benzoic acid
CID 60933200
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-[2-(2-ethylbutanoylamino)ethylcarbamoyl]benzoic acid
CID 113083346
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
hydroxy(trimethyl)silane;phthalic acid
CID 175037657
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
CID 66717184
CID 66717184
2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]benzoic acid
CID 102903651

Frequently Asked Questions

What is the IUPAC name of 2-(trimethylsilylmethylcarbamoyl)benzoic acid?
The IUPAC name of 2-(trimethylsilylmethylcarbamoyl)benzoic acid (CID 59089159) is 2-(trimethylsilylmethylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(trimethylsilylmethylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(trimethylsilylmethylcarbamoyl)benzoic acid is C[Si](C)(C)CNC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(trimethylsilylmethylcarbamoyl)benzoic acid?
The InChIKey is ATAJRCDQUNDFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3Si/c1-17(2,3)8-13-11(14)9-6-4-5-7-10(9)12(15)16/h4-7H,8H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-(trimethylsilylmethylcarbamoyl)benzoic acid?
2-(trimethylsilylmethylcarbamoyl)benzoic acid has a molecular weight of 251.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethylsilylmethylcarbamoyl)benzoic acid is sourced from PubChem (CID 59089159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).