triethylsilyl 2-acetamido-4-chlorobutanoate

C12H24ClNO3Si — CID 154642640

IUPACtriethylsilyl 2-acetamido-4-chlorobutanoate
SMILESCC[Si](CC)(CC)OC(=O)C(CCCl)NC(C)=O
InChIInChI=1S/C12H24ClNO3Si/c1-5-18(6-2,7-3)17-12(16)11(8-9-13)14-10(4)15/h11H,5-9H2,1-4H3,(H,14,15)
InChIKeyNREIMYRPMKDHTP-UHFFFAOYSA-N
MW293.87 g/mol
LogP2.67
Rot. Bonds8

About triethylsilyl 2-acetamido-4-chlorobutanoate

triethylsilyl 2-acetamido-4-chlorobutanoate (PubChem CID 154642640) has the molecular formula C12H24ClNO3Si and a molecular weight of 293.87 g/mol. Its IUPAC name is triethylsilyl 2-acetamido-4-chlorobutanoate.

Molecular Properties

Compound Nametriethylsilyl 2-acetamido-4-chlorobutanoate
PubChem CID154642640
Molecular FormulaC12H24ClNO3Si
Molecular Weight293.87 g/mol
Exact Mass293.12
IUPAC Nametriethylsilyl 2-acetamido-4-chlorobutanoate
SMILESCC[Si](CC)(CC)OC(=O)C(CCCl)NC(C)=O
InChIInChI=1S/C12H24ClNO3Si/c1-5-18(6-2,7-3)17-12(16)11(8-9-13)14-10(4)15/h11H,5-9H2,1-4H3,(H,14,15)
InChIKeyNREIMYRPMKDHTP-UHFFFAOYSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.87
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze triethylsilyl 2-acetamido-4-chlorobutanoate 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

dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
bis(trimethylsilyl) 2-acetamidopentanedioate
CID 554446
methyl 4-chloro-2-(methoxycarbonylamino)butanoate
CID 175350926
2-acetamidopentanamide
CID 23273489
ethyl (2S)-4-chloro-2-(methoxycarbonylamino)butanoate;hydrochloride
CID 170946491
methyl (2S)-2-acetamido-4-[(1-amino-2-chloroethylidene)amino]butanoate
CID 71718659
CID 157010257
CID 157010257
propan-2-yl (2S)-2-acetamidopentanoate
CID 90680449
methyl (2S)-2-acetamidobutanoate
CID 11084154
ethyl 2-acetamido-4-methoxybutanoate
CID 137321070
methyl 2-acetamidooctanoate
CID 6429509

Frequently Asked Questions

What is the IUPAC name of triethylsilyl 2-acetamido-4-chlorobutanoate?
The IUPAC name of triethylsilyl 2-acetamido-4-chlorobutanoate (CID 154642640) is triethylsilyl 2-acetamido-4-chlorobutanoate.
What is the SMILES notation for triethylsilyl 2-acetamido-4-chlorobutanoate?
The canonical SMILES for triethylsilyl 2-acetamido-4-chlorobutanoate is CC[Si](CC)(CC)OC(=O)C(CCCl)NC(C)=O.
What is the InChIKey of triethylsilyl 2-acetamido-4-chlorobutanoate?
The InChIKey is NREIMYRPMKDHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO3Si/c1-5-18(6-2,7-3)17-12(16)11(8-9-13)14-10(4)15/h11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of triethylsilyl 2-acetamido-4-chlorobutanoate?
triethylsilyl 2-acetamido-4-chlorobutanoate has a molecular weight of 293.87 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 2-acetamido-4-chlorobutanoate is sourced from PubChem (CID 154642640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).