methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate

C13H25NO4Si — CID 14765843

IUPACmethyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate
SMILESC=CC[C@H](NC(=O)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C13H25NO4Si/c1-8-9-10(11(15)17-5)14-12(16)18-19(6,7)13(2,3)4/h8,10H,1,9H2,2-7H3,(H,14,16)/t10-/m0/s1
InChIKeyPJPJGNOYCZNXRW-JTQLQIEISA-N
MW287.43 g/mol
LogP2.84
Rot. Bonds5

About methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate

methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate (PubChem CID 14765843) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate
PubChem CID14765843
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Namemethyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate
SMILESC=CC[C@H](NC(=O)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C13H25NO4Si/c1-8-9-10(11(15)17-5)14-12(16)18-19(6,7)13(2,3)4/h8,10H,1,9H2,2-7H3,(H,14,16)/t10-/m0/s1
InChIKeyPJPJGNOYCZNXRW-JTQLQIEISA-N
XLogP2.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate?
The IUPAC name of methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate (CID 14765843) is methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate.
What is the SMILES notation for methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate?
The canonical SMILES for methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate is C=CC[C@H](NC(=O)O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate?
The InChIKey is PJPJGNOYCZNXRW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H25NO4Si/c1-8-9-10(11(15)17-5)14-12(16)18-19(6,7)13(2,3)4/h8,10H,1,9H2,2-7H3,(H,14,16)/t10-/m0/s1.
What are the key properties of methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate?
methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate has a molecular weight of 287.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate is sourced from PubChem (CID 14765843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).