2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid

C12H25NO4Si — CID 162422079

IUPAC2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C12H25NO4Si/c1-6-7-10(11(14)15)13(2)12(16)17-8-9-18(3,4)5/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyOOILZIZRVHYCHD-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.65
Rot. Bonds7

About 2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid

2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid (PubChem CID 162422079) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid
PubChem CID162422079
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC Name2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C12H25NO4Si/c1-6-7-10(11(14)15)13(2)12(16)17-8-9-18(3,4)5/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyOOILZIZRVHYCHD-UHFFFAOYSA-N
XLogP2.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid?
The IUPAC name of 2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid (CID 162422079) is 2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid is CCCC(C(=O)O)N(C)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid?
The InChIKey is OOILZIZRVHYCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-6-7-10(11(14)15)13(2)12(16)17-8-9-18(3,4)5/h10H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid?
2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid has a molecular weight of 275.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-trimethylsilylethoxycarbonyl)amino]pentanoic acid is sourced from PubChem (CID 162422079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).