methyl (2S,3R)-2-(aminomethyl)-3-dimethylsilyloxy-3,4,4-trimethylpentanoate

C12H27NO3Si — CID 173310343

IUPACmethyl (2S,3R)-2-(aminomethyl)-3-dimethylsilyloxy-3,4,4-trimethylpentanoate
SMILESCOC(=O)[C@@H](CN)[C@@](C)(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C12H27NO3Si/c1-11(2,3)12(4,16-17(6)7)9(8-13)10(14)15-5/h9,17H,8,13H2,1-7H3/t9-,12-/m1/s1
InChIKeyULTGLZBHQRSQQN-BXKDBHETSA-N
MW261.44 g/mol
LogP1.54
Rot. Bonds5

About methyl (2S,3R)-2-(aminomethyl)-3-dimethylsilyloxy-3,4,4-trimethylpentanoate

methyl (2S,3R)-2-(aminomethyl)-3-dimethylsilyloxy-3,4,4-trimethylpentanoate (PubChem CID 173310343) has the molecular formula C12H27NO3Si and a molecular weight of 261.44 g/mol. Its IUPAC name is methyl (2S,3R)-2-(aminomethyl)-3-dimethylsilyloxy-3,4,4-trimethylpentanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-(aminomethyl)-3-dimethylsilyloxy-3,4,4-trimethylpentanoate
PubChem CID173310343
Molecular FormulaC12H27NO3Si
Molecular Weight261.44 g/mol
Exact Mass261.18
IUPAC Namemethyl (2S,3R)-2-(aminomethyl)-3-dimethylsilyloxy-3,4,4-trimethylpentanoate
SMILESCOC(=O)[C@@H](CN)[C@@](C)(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C12H27NO3Si/c1-11(2,3)12(4,16-17(6)7)9(8-13)10(14)15-5/h9,17H,8,13H2,1-7H3/t9-,12-/m1/s1
InChIKeyULTGLZBHQRSQQN-BXKDBHETSA-N
XLogP1.54
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 51.54
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 methyl (2S,3R)-2-(aminomethyl)-3-dimethylsilyloxy-3,4,4-trimethylpentanoate?
The IUPAC name of methyl (2S,3R)-2-(aminomethyl)-3-dimethylsilyloxy-3,4,4-trimethylpentanoate (CID 173310343) is methyl (2S,3R)-2-(aminomethyl)-3-dimethylsilyloxy-3,4,4-trimethylpentanoate.
What is the SMILES notation for methyl (2S,3R)-2-(aminomethyl)-3-dimethylsilyloxy-3,4,4-trimethylpentanoate?
The canonical SMILES for methyl (2S,3R)-2-(aminomethyl)-3-dimethylsilyloxy-3,4,4-trimethylpentanoate is COC(=O)[C@@H](CN)[C@@](C)(O[SiH](C)C)C(C)(C)C.
What is the InChIKey of methyl (2S,3R)-2-(aminomethyl)-3-dimethylsilyloxy-3,4,4-trimethylpentanoate?
The InChIKey is ULTGLZBHQRSQQN-BXKDBHETSA-N. The full InChI is InChI=1S/C12H27NO3Si/c1-11(2,3)12(4,16-17(6)7)9(8-13)10(14)15-5/h9,17H,8,13H2,1-7H3/t9-,12-/m1/s1.
What are the key properties of methyl (2S,3R)-2-(aminomethyl)-3-dimethylsilyloxy-3,4,4-trimethylpentanoate?
methyl (2S,3R)-2-(aminomethyl)-3-dimethylsilyloxy-3,4,4-trimethylpentanoate has a molecular weight of 261.44 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-(aminomethyl)-3-dimethylsilyloxy-3,4,4-trimethylpentanoate is sourced from PubChem (CID 173310343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).