methyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate

C14H27NO4Si — CID 101221457

IUPACmethyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate
SMILESC=C[C@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C14H27NO4Si/c1-9-10(20(6,7)8)11(12(16)18-5)15-13(17)19-14(2,3)4/h9-11H,1H2,2-8H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyVWZSVRJBLIHFGM-GHMZBOCLSA-N
MW301.46 g/mol
LogP2.95
Rot. Bonds5

About methyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate

methyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate (PubChem CID 101221457) has the molecular formula C14H27NO4Si and a molecular weight of 301.46 g/mol. Its IUPAC name is methyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate
PubChem CID101221457
Molecular FormulaC14H27NO4Si
Molecular Weight301.46 g/mol
Exact Mass301.17
IUPAC Namemethyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate
SMILESC=C[C@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C14H27NO4Si/c1-9-10(20(6,7)8)11(12(16)18-5)15-13(17)19-14(2,3)4/h9-11H,1H2,2-8H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyVWZSVRJBLIHFGM-GHMZBOCLSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.95
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

dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
methyl (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 130664858
methyl (2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 102278748
methyl (2R,3R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 124652362
methyl (2R,3S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 130655477
methyl (2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87786553
methyl 4,4,4-trifluoro-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 131841417
methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 75152414
tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate
CID 101062005
(2S)-4-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 86699111
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enoate
CID 100999449
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate
CID 138039606

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate?
The IUPAC name of methyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate (CID 101221457) is methyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate.
What is the SMILES notation for methyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate?
The canonical SMILES for methyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate is C=C[C@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate?
The InChIKey is VWZSVRJBLIHFGM-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H27NO4Si/c1-9-10(20(6,7)8)11(12(16)18-5)15-13(17)19-14(2,3)4/h9-11H,1H2,2-8H3,(H,15,17)/t10-,11-/m1/s1.
What are the key properties of methyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate?
methyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate has a molecular weight of 301.46 g/mol, XLogP of 2.95, 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-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate is sourced from PubChem (CID 101221457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).