[tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate

C17H35NO4Si — CID 91753755

IUPAC[tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate
SMILESCC[C@H](C)[C@H](NC(=O)OCC(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35NO4Si/c1-10-13(4)14(18-16(20)21-11-12(2)3)15(19)22-23(8,9)17(5,6)7/h12-14H,10-11H2,1-9H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyRZVXLGVTQIGIKL-KBPBESRZSA-N
MW345.56 g/mol
LogP4.33
Rot. Bonds7

About [tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate

[tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate (PubChem CID 91753755) has the molecular formula C17H35NO4Si and a molecular weight of 345.56 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate
PubChem CID91753755
Molecular FormulaC17H35NO4Si
Molecular Weight345.56 g/mol
Exact Mass345.23
IUPAC Name[tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate
SMILESCC[C@H](C)[C@H](NC(=O)OCC(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35NO4Si/c1-10-13(4)14(18-16(20)21-11-12(2)3)15(19)22-23(8,9)17(5,6)7/h12-14H,10-11H2,1-9H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyRZVXLGVTQIGIKL-KBPBESRZSA-N
XLogP4.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl N-[(5S)-2,5-dimethyl-3-oxoheptan-4-yl]carbamate
CID 58715292
2-methylpropyl 2-(2,2-dimethylpropoxycarbonylamino)-3-methylpentanoate
CID 91732912
[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate
CID 529362
[tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate
CID 91752616
tert-butyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoate
CID 115539558
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
ethyl 3-methyl-2-(propoxycarbonylamino)pentanoate
CID 6424721
iodomethyl (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 23387582
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
methyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethyl-4-oxohexan-3-yl]carbamate
CID 59470831
2-methylpropyl N-(1-cyanopropyl)carbamate
CID 61124599

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate (CID 91753755) is [tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate is CC[C@H](C)[C@H](NC(=O)OCC(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate?
The InChIKey is RZVXLGVTQIGIKL-KBPBESRZSA-N. The full InChI is InChI=1S/C17H35NO4Si/c1-10-13(4)14(18-16(20)21-11-12(2)3)15(19)22-23(8,9)17(5,6)7/h12-14H,10-11H2,1-9H3,(H,18,20)/t13-,14-/m0/s1.
What are the key properties of [tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate?
[tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate has a molecular weight of 345.56 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate is sourced from PubChem (CID 91753755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).