methyl 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate

C15H24ClNO4SSi — CID 156745107

IUPACmethyl 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate
SMILESCOC(=O)c1cc(Cl)sc1NC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H24ClNO4SSi/c1-9(21-23(6,7)15(2,3)4)12(18)17-13-10(14(19)20-5)8-11(16)22-13/h8-9H,1-7H3,(H,17,18)/t9-/m0/s1
InChIKeyVZJDARYYBVGVNN-VIFPVBQESA-N
MW377.97 g/mol
LogP4.54
Rot. Bonds5

About methyl 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate

methyl 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate (PubChem CID 156745107) has the molecular formula C15H24ClNO4SSi and a molecular weight of 377.97 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate
PubChem CID156745107
Molecular FormulaC15H24ClNO4SSi
Molecular Weight377.97 g/mol
Exact Mass377.09
IUPAC Namemethyl 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate
SMILESCOC(=O)c1cc(Cl)sc1NC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H24ClNO4SSi/c1-9(21-23(6,7)15(2,3)4)12(18)17-13-10(14(19)20-5)8-11(16)22-13/h8-9H,1-7H3,(H,17,18)/t9-/m0/s1
InChIKeyVZJDARYYBVGVNN-VIFPVBQESA-N
XLogP4.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.97
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate?
The IUPAC name of methyl 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate (CID 156745107) is methyl 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate is COC(=O)c1cc(Cl)sc1NC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate?
The InChIKey is VZJDARYYBVGVNN-VIFPVBQESA-N. The full InChI is InChI=1S/C15H24ClNO4SSi/c1-9(21-23(6,7)15(2,3)4)12(18)17-13-10(14(19)20-5)8-11(16)22-13/h8-9H,1-7H3,(H,17,18)/t9-/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate?
methyl 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate has a molecular weight of 377.97 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate is sourced from PubChem (CID 156745107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).