sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate

C11H24NNaO3Si — CID 23697835

IUPACsodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](N)C(=O)[O-].[Na+]
InChIInChI=1S/C11H25NO3Si.Na/c1-8(9(12)10(13)14)7-15-16(5,6)11(2,3)4;/h8-9H,7,12H2,1-6H3,(H,13,14);/q;+1/p-1/t8-,9+;/m0./s1
InChIKeyJFIMGMLQOUEPAM-OULXEKPRSA-M
MW269.39 g/mol
LogP-2.27
Rot. Bonds5

About sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate

sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate (PubChem CID 23697835) has the molecular formula C11H24NNaO3Si and a molecular weight of 269.39 g/mol. Its IUPAC name is sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate.

Molecular Properties

Compound Namesodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
PubChem CID23697835
Molecular FormulaC11H24NNaO3Si
Molecular Weight269.39 g/mol
Exact Mass269.14
IUPAC Namesodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](N)C(=O)[O-].[Na+]
InChIInChI=1S/C11H25NO3Si.Na/c1-8(9(12)10(13)14)7-15-16(5,6)11(2,3)4;/h8-9H,7,12H2,1-6H3,(H,13,14);/q;+1/p-1/t8-,9+;/m0./s1
InChIKeyJFIMGMLQOUEPAM-OULXEKPRSA-M
XLogP-2.27
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-2.27
H-Bond Donors ≤ 51
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 sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
The IUPAC name of sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate (CID 23697835) is sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate.
What is the SMILES notation for sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
The canonical SMILES for sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate is C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](N)C(=O)[O-].[Na+].
What is the InChIKey of sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
The InChIKey is JFIMGMLQOUEPAM-OULXEKPRSA-M. The full InChI is InChI=1S/C11H25NO3Si.Na/c1-8(9(12)10(13)14)7-15-16(5,6)11(2,3)4;/h8-9H,7,12H2,1-6H3,(H,13,14);/q;+1/p-1/t8-,9+;/m0./s1.
What are the key properties of sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate has a molecular weight of 269.39 g/mol, XLogP of -2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate is sourced from PubChem (CID 23697835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).