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

C13H25NO4Si — CID 14765842

IUPACmethyl 2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate
SMILESC=CCC(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)
InChIKeyPJPJGNOYCZNXRW-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.84
Rot. Bonds5

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

methyl 2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate (PubChem CID 14765842) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is methyl 2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate.

Molecular Properties

Compound Namemethyl 2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate
PubChem CID14765842
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Namemethyl 2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate
SMILESC=CCC(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)
InChIKeyPJPJGNOYCZNXRW-UHFFFAOYSA-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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Related Compounds

(S)-Methyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
CID 9837499
Methyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
CID 10857232
Methyl N-methoxycarbonyl-2-amino-4-pentenoate
CID 11074136
(R)-Methyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
CID 58169888
methyl (E,2S)-2-acetamido-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10519447
methyl (2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate
CID 12968500
methyl (E,2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate
CID 12968503
methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate
CID 14765843
methyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate
CID 101221457
methyl (E,2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylhex-4-enoate
CID 101221459
[(1S)-1-[tert-butyl(dimethyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 164687181
Methyl 2-(trimethylsilylmethylamino)pent-4-enoate
CID 10900032

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate?
The IUPAC name of methyl 2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate (CID 14765842) is methyl 2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate.
What is the SMILES notation for methyl 2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate?
The canonical SMILES for methyl 2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate is C=CCC(NC(=O)O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate?
The InChIKey is PJPJGNOYCZNXRW-UHFFFAOYSA-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).
What are the key properties of methyl 2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate?
methyl 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 2-[[tert-butyl(dimethyl)silyl]oxycarbonylamino]pent-4-enoate is sourced from PubChem (CID 14765842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).