methyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate

C11H25NO3Si — CID 88662709

IUPACmethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate
SMILESCOC(=O)[C@@H](N[Si](C)(C)C(C)(C)C)[C@@H](C)O
InChIInChI=1S/C11H25NO3Si/c1-8(13)9(10(14)15-5)12-16(6,7)11(2,3)4/h8-9,12-13H,1-7H3/t8-,9+/m1/s1
InChIKeyMJKJSNXYMOLJJA-BDAKNGLRSA-N
MW247.41 g/mol
LogP1.50
Rot. Bonds4

About methyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate

methyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate (PubChem CID 88662709) has the molecular formula C11H25NO3Si and a molecular weight of 247.41 g/mol. Its IUPAC name is methyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate
PubChem CID88662709
Molecular FormulaC11H25NO3Si
Molecular Weight247.41 g/mol
Exact Mass247.16
IUPAC Namemethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate
SMILESCOC(=O)[C@@H](N[Si](C)(C)C(C)(C)C)[C@@H](C)O
InChIInChI=1S/C11H25NO3Si/c1-8(13)9(10(14)15-5)12-16(6,7)11(2,3)4/h8-9,12-13H,1-7H3/t8-,9+/m1/s1
InChIKeyMJKJSNXYMOLJJA-BDAKNGLRSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 methyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate?
The IUPAC name of methyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate (CID 88662709) is methyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate.
What is the SMILES notation for methyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate?
The canonical SMILES for methyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate is COC(=O)[C@@H](N[Si](C)(C)C(C)(C)C)[C@@H](C)O.
What is the InChIKey of methyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate?
The InChIKey is MJKJSNXYMOLJJA-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H25NO3Si/c1-8(13)9(10(14)15-5)12-16(6,7)11(2,3)4/h8-9,12-13H,1-7H3/t8-,9+/m1/s1.
What are the key properties of methyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate?
methyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate has a molecular weight of 247.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]amino]-3-hydroxybutanoate is sourced from PubChem (CID 88662709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).