[(1S)-1-[dimethyl(phenyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C19H27NO4Si — CID 56640935

IUPAC[(1S)-1-[dimethyl(phenyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC#C[C@@H](OC(=O)CNC(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H27NO4Si/c1-7-11-17(25(5,6)15-12-9-8-10-13-15)23-16(21)14-20-18(22)24-19(2,3)4/h8-10,12-13,17H,14H2,1-6H3,(H,20,22)/t17-/m0/s1
InChIKeyPNCBVMYCXATTSU-KRWDZBQOSA-N
MW361.51 g/mol
LogP2.60
Rot. Bonds5

About [(1S)-1-[dimethyl(phenyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

[(1S)-1-[dimethyl(phenyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 56640935) has the molecular formula C19H27NO4Si and a molecular weight of 361.51 g/mol. Its IUPAC name is [(1S)-1-[dimethyl(phenyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name[(1S)-1-[dimethyl(phenyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID56640935
Molecular FormulaC19H27NO4Si
Molecular Weight361.51 g/mol
Exact Mass361.17
IUPAC Name[(1S)-1-[dimethyl(phenyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC#C[C@@H](OC(=O)CNC(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H27NO4Si/c1-7-11-17(25(5,6)15-12-9-8-10-13-15)23-16(21)14-20-18(22)24-19(2,3)4/h8-10,12-13,17H,14H2,1-6H3,(H,20,22)/t17-/m0/s1
InChIKeyPNCBVMYCXATTSU-KRWDZBQOSA-N
XLogP2.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(E,3R)-1-[dimethyl(phenyl)silyl]hexadec-1-en-3-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11699391
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-triphenylsilylpropanoate
CID 15391418
methyl (2S)-3-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121986
methyl (2S)-3-[methyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121987
methyl (2S)-3-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121989
Methyl 3-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 132559588
methyl (E,2S,3S)-3-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]octadec-4-enoate
CID 134866328
(E,2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid
CID 139263768
[(1S)-1-[tert-butyl(dimethyl)silyl]-3-phenylprop-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 164687414
methyl (2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 10571659
methyl (2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 10647436
methyl (2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 15383275

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[dimethyl(phenyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of [(1S)-1-[dimethyl(phenyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 56640935) is [(1S)-1-[dimethyl(phenyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for [(1S)-1-[dimethyl(phenyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for [(1S)-1-[dimethyl(phenyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC#C[C@@H](OC(=O)CNC(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of [(1S)-1-[dimethyl(phenyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is PNCBVMYCXATTSU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27NO4Si/c1-7-11-17(25(5,6)15-12-9-8-10-13-15)23-16(21)14-20-18(22)24-19(2,3)4/h8-10,12-13,17H,14H2,1-6H3,(H,20,22)/t17-/m0/s1.
What are the key properties of [(1S)-1-[dimethyl(phenyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
[(1S)-1-[dimethyl(phenyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 361.51 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[dimethyl(phenyl)silyl]but-2-ynyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 56640935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).