1-trimethylsilylethyl (2R)-2-aminopropanoate

C8H19NO2Si — CID 87632217

IUPAC1-trimethylsilylethyl (2R)-2-aminopropanoate
SMILESCC(OC(=O)[C@@H](C)N)[Si](C)(C)C
InChIInChI=1S/C8H19NO2Si/c1-6(9)8(10)11-7(2)12(3,4)5/h6-7H,9H2,1-5H3/t6-,7?/m1/s1
InChIKeyKGCLYMRSRGUVHS-ULUSZKPHSA-N
MW189.33 g/mol
LogP1.14
Rot. Bonds3

About 1-trimethylsilylethyl (2R)-2-aminopropanoate

1-trimethylsilylethyl (2R)-2-aminopropanoate (PubChem CID 87632217) has the molecular formula C8H19NO2Si and a molecular weight of 189.33 g/mol. Its IUPAC name is 1-trimethylsilylethyl (2R)-2-aminopropanoate.

Molecular Properties

Compound Name1-trimethylsilylethyl (2R)-2-aminopropanoate
PubChem CID87632217
Molecular FormulaC8H19NO2Si
Molecular Weight189.33 g/mol
Exact Mass189.12
IUPAC Name1-trimethylsilylethyl (2R)-2-aminopropanoate
SMILESCC(OC(=O)[C@@H](C)N)[Si](C)(C)C
InChIInChI=1S/C8H19NO2Si/c1-6(9)8(10)11-7(2)12(3,4)5/h6-7H,9H2,1-5H3/t6-,7?/m1/s1
InChIKeyKGCLYMRSRGUVHS-ULUSZKPHSA-N
XLogP1.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl (2S)-2-aminopropanoate
CID 13089460
propan-2-yl 2-aminopropanoate
CID 11804791
butan-2-yl (2R)-2-aminopropanoate
CID 45086644
hydron;propan-2-yl (2S)-2-aminopropanoate;chloride
CID 173116569
1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide
CID 88792060
[(2R)-pentan-2-yl] (2S)-2-aminopropanoate
CID 118034271
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
methyl 2-aminopropanoate
CID 159707893
1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride
CID 141398167
CID 145193222
CID 145193222
propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792
1-[dimethyl(sulfanyl)-λ4-sulfanyl]propan-2-yl 2-aminopropanoate
CID 166658163

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylethyl (2R)-2-aminopropanoate?
The IUPAC name of 1-trimethylsilylethyl (2R)-2-aminopropanoate (CID 87632217) is 1-trimethylsilylethyl (2R)-2-aminopropanoate.
What is the SMILES notation for 1-trimethylsilylethyl (2R)-2-aminopropanoate?
The canonical SMILES for 1-trimethylsilylethyl (2R)-2-aminopropanoate is CC(OC(=O)[C@@H](C)N)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylethyl (2R)-2-aminopropanoate?
The InChIKey is KGCLYMRSRGUVHS-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H19NO2Si/c1-6(9)8(10)11-7(2)12(3,4)5/h6-7H,9H2,1-5H3/t6-,7?/m1/s1.
What are the key properties of 1-trimethylsilylethyl (2R)-2-aminopropanoate?
1-trimethylsilylethyl (2R)-2-aminopropanoate has a molecular weight of 189.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylethyl (2R)-2-aminopropanoate is sourced from PubChem (CID 87632217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).