2-(N-ethyl-4-trimethylsilylanilino)butanoic acid

C15H25NO2Si — CID 59058633

IUPAC2-(N-ethyl-4-trimethylsilylanilino)butanoic acid
SMILESCCC(C(=O)O)N(CC)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C15H25NO2Si/c1-6-14(15(17)18)16(7-2)12-8-10-13(11-9-12)19(3,4)5/h8-11,14H,6-7H2,1-5H3,(H,17,18)
InChIKeyMQBHXQYBJAAZPH-UHFFFAOYSA-N
MW279.46 g/mol
LogP2.92
Rot. Bonds6

About 2-(N-ethyl-4-trimethylsilylanilino)butanoic acid

2-(N-ethyl-4-trimethylsilylanilino)butanoic acid (PubChem CID 59058633) has the molecular formula C15H25NO2Si and a molecular weight of 279.46 g/mol. Its IUPAC name is 2-(N-ethyl-4-trimethylsilylanilino)butanoic acid.

Molecular Properties

Compound Name2-(N-ethyl-4-trimethylsilylanilino)butanoic acid
PubChem CID59058633
Molecular FormulaC15H25NO2Si
Molecular Weight279.46 g/mol
Exact Mass279.17
IUPAC Name2-(N-ethyl-4-trimethylsilylanilino)butanoic acid
SMILESCCC(C(=O)O)N(CC)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C15H25NO2Si/c1-6-14(15(17)18)16(7-2)12-8-10-13(11-9-12)19(3,4)5/h8-11,14H,6-7H2,1-5H3,(H,17,18)
InChIKeyMQBHXQYBJAAZPH-UHFFFAOYSA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(N,4-diethylanilino)butanoic acid
CID 100518092
(2R)-2-(N,4-diethylanilino)butanoic acid
CID 125044983
(2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid
CID 100517927
2-(N-ethyl-3,5-dimethylanilino)butanoic acid
CID 133150265
(2S)-2-(4-methyl-N-propylanilino)butanoic acid
CID 100517320
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]butanoic acid
CID 100520434
(2R)-2-(N-ethyl-3-nitroanilino)butanoic acid
CID 100521914
(2R)-2-(3,4-dichloro-N-propylanilino)butanoic acid
CID 125045070
(2S)-2-(N-ethylanilino)pent-4-enoic acid
CID 67199848
(2S)-2-(4-phenoxy-N-propylanilino)butanoic acid
CID 100521174
(2S)-2-(2,3-dichloro-N-ethylanilino)butanoic acid
CID 100519897
(2S)-2-(N-ethyl-2-phenylsulfanylanilino)butanoic acid
CID 100522173

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-trimethylsilylanilino)butanoic acid?
The IUPAC name of 2-(N-ethyl-4-trimethylsilylanilino)butanoic acid (CID 59058633) is 2-(N-ethyl-4-trimethylsilylanilino)butanoic acid.
What is the SMILES notation for 2-(N-ethyl-4-trimethylsilylanilino)butanoic acid?
The canonical SMILES for 2-(N-ethyl-4-trimethylsilylanilino)butanoic acid is CCC(C(=O)O)N(CC)c1ccc([Si](C)(C)C)cc1.
What is the InChIKey of 2-(N-ethyl-4-trimethylsilylanilino)butanoic acid?
The InChIKey is MQBHXQYBJAAZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2Si/c1-6-14(15(17)18)16(7-2)12-8-10-13(11-9-12)19(3,4)5/h8-11,14H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 2-(N-ethyl-4-trimethylsilylanilino)butanoic acid?
2-(N-ethyl-4-trimethylsilylanilino)butanoic acid has a molecular weight of 279.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-trimethylsilylanilino)butanoic acid is sourced from PubChem (CID 59058633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).