(2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide

C6H16BrNO2Si — CID 173172794

IUPAC(2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide
SMILESC[Si](C)(C)C[C@H](N)C(=O)O.[Br-].[H+]
InChIInChI=1S/C6H15NO2Si.BrH/c1-10(2,3)4-5(7)6(8)9;/h5H,4,7H2,1-3H3,(H,8,9);1H/t5-;/m0./s1
InChIKeyITLQTDCGCXBULB-JEDNCBNOSA-N
MW242.19 g/mol
LogP-2.15
Rot. Bonds3

About (2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide

(2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide (PubChem CID 173172794) has the molecular formula C6H16BrNO2Si and a molecular weight of 242.19 g/mol. Its IUPAC name is (2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide.

Molecular Properties

Compound Name(2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide
PubChem CID173172794
Molecular FormulaC6H16BrNO2Si
Molecular Weight242.19 g/mol
Exact Mass241.01
IUPAC Name(2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide
SMILESC[Si](C)(C)C[C@H](N)C(=O)O.[Br-].[H+]
InChIInChI=1S/C6H15NO2Si.BrH/c1-10(2,3)4-5(7)6(8)9;/h5H,4,7H2,1-3H3,(H,8,9);1H/t5-;/m0./s1
InChIKeyITLQTDCGCXBULB-JEDNCBNOSA-N
XLogP-2.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-2.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-[methyl(diphenyl)silyl]propanoic acid
CID 10379208
2-aminobutanedioic acid;dihydroxy(dimethyl)silane
CID 158066408
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-aminobutanoic acid;ethane
CID 90764297
aluminum 2-aminobutanoic acid
CID 19792235
2-aminobutanoic acid;sulfane
CID 162128083
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
2,3-diaminopropanoic acid
CID 160927094
3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid
CID 57231506
calcium;2-aminobutanedioic acid;hydron
CID 173271568
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide?
The IUPAC name of (2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide (CID 173172794) is (2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide.
What is the SMILES notation for (2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide?
The canonical SMILES for (2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide is C[Si](C)(C)C[C@H](N)C(=O)O.[Br-].[H+].
What is the InChIKey of (2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide?
The InChIKey is ITLQTDCGCXBULB-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H15NO2Si.BrH/c1-10(2,3)4-5(7)6(8)9;/h5H,4,7H2,1-3H3,(H,8,9);1H/t5-;/m0./s1.
What are the key properties of (2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide?
(2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide has a molecular weight of 242.19 g/mol, XLogP of -2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-trimethylsilylpropanoic acid;hydron;bromide is sourced from PubChem (CID 173172794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).