(2S)-2-[bis(trimethylsilyl)amino]-4-methylsulfanylbutanoic acid

C11H27NO2SSi2 — CID 172597175

IUPAC(2S)-2-[bis(trimethylsilyl)amino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H27NO2SSi2/c1-15-9-8-10(11(13)14)12(16(2,3)4)17(5,6)7/h10H,8-9H2,1-7H3,(H,13,14)/t10-/m0/s1
InChIKeyOJRPSMZPACFFSF-JTQLQIEISA-N
MW293.58 g/mol
LogP3.16
Rot. Bonds7

About (2S)-2-[bis(trimethylsilyl)amino]-4-methylsulfanylbutanoic acid

(2S)-2-[bis(trimethylsilyl)amino]-4-methylsulfanylbutanoic acid (PubChem CID 172597175) has the molecular formula C11H27NO2SSi2 and a molecular weight of 293.58 g/mol. Its IUPAC name is (2S)-2-[bis(trimethylsilyl)amino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[bis(trimethylsilyl)amino]-4-methylsulfanylbutanoic acid
PubChem CID172597175
Molecular FormulaC11H27NO2SSi2
Molecular Weight293.58 g/mol
Exact Mass293.13
IUPAC Name(2S)-2-[bis(trimethylsilyl)amino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H27NO2SSi2/c1-15-9-8-10(11(13)14)12(16(2,3)4)17(5,6)7/h10H,8-9H2,1-7H3,(H,13,14)/t10-/m0/s1
InChIKeyOJRPSMZPACFFSF-JTQLQIEISA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.58
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis(trimethylsilyl)amino]-4-methylsulfanylbutanoic acid?
The IUPAC name of (2S)-2-[bis(trimethylsilyl)amino]-4-methylsulfanylbutanoic acid (CID 172597175) is (2S)-2-[bis(trimethylsilyl)amino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2S)-2-[bis(trimethylsilyl)amino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2S)-2-[bis(trimethylsilyl)amino]-4-methylsulfanylbutanoic acid is CSCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of (2S)-2-[bis(trimethylsilyl)amino]-4-methylsulfanylbutanoic acid?
The InChIKey is OJRPSMZPACFFSF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H27NO2SSi2/c1-15-9-8-10(11(13)14)12(16(2,3)4)17(5,6)7/h10H,8-9H2,1-7H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-[bis(trimethylsilyl)amino]-4-methylsulfanylbutanoic acid?
(2S)-2-[bis(trimethylsilyl)amino]-4-methylsulfanylbutanoic acid has a molecular weight of 293.58 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis(trimethylsilyl)amino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 172597175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).