(2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid

C14H29NO3Si — CID 67908054

IUPAC(2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid
SMILESCN[C@@](CCC1CCCCC1)(O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C14H29NO3Si/c1-15-14(13(16)17,18-19(2,3)4)11-10-12-8-6-5-7-9-12/h12,15H,5-11H2,1-4H3,(H,16,17)/t14-/m0/s1
InChIKeyOEHXPXWGFVUZGI-AWEZNQCLSA-N
MW287.48 g/mol
LogP3.20
Rot. Bonds7

About (2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid

(2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid (PubChem CID 67908054) has the molecular formula C14H29NO3Si and a molecular weight of 287.48 g/mol. Its IUPAC name is (2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid
PubChem CID67908054
Molecular FormulaC14H29NO3Si
Molecular Weight287.48 g/mol
Exact Mass287.19
IUPAC Name(2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid
SMILESCN[C@@](CCC1CCCCC1)(O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C14H29NO3Si/c1-15-14(13(16)17,18-19(2,3)4)11-10-12-8-6-5-7-9-12/h12,15H,5-11H2,1-4H3,(H,16,17)/t14-/m0/s1
InChIKeyOEHXPXWGFVUZGI-AWEZNQCLSA-N
XLogP3.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid?
The IUPAC name of (2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid (CID 67908054) is (2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid.
What is the SMILES notation for (2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid?
The canonical SMILES for (2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid is CN[C@@](CCC1CCCCC1)(O[Si](C)(C)C)C(=O)O.
What is the InChIKey of (2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid?
The InChIKey is OEHXPXWGFVUZGI-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H29NO3Si/c1-15-14(13(16)17,18-19(2,3)4)11-10-12-8-6-5-7-9-12/h12,15H,5-11H2,1-4H3,(H,16,17)/t14-/m0/s1.
What are the key properties of (2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid?
(2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid has a molecular weight of 287.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-cyclohexyl-2-(methylamino)-2-trimethylsilyloxybutanoic acid is sourced from PubChem (CID 67908054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).