benzyl (2S)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate

C17H29NO3Si — CID 173345881

IUPACbenzyl (2S)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate
SMILESCC(OC(C)(C)C)[C@H](N[SiH](C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C17H29NO3Si/c1-13(21-17(2,3)4)15(18-22(5)6)16(19)20-12-14-10-8-7-9-11-14/h7-11,13,15,18,22H,12H2,1-6H3/t13?,15-/m0/s1
InChIKeyLCPGBQPYEPZVDM-WUJWULDRSA-N
MW323.51 g/mol
LogP2.88
Rot. Bonds7

About benzyl (2S)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate

benzyl (2S)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate (PubChem CID 173345881) has the molecular formula C17H29NO3Si and a molecular weight of 323.51 g/mol. Its IUPAC name is benzyl (2S)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate
PubChem CID173345881
Molecular FormulaC17H29NO3Si
Molecular Weight323.51 g/mol
Exact Mass323.19
IUPAC Namebenzyl (2S)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate
SMILESCC(OC(C)(C)C)[C@H](N[SiH](C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C17H29NO3Si/c1-13(21-17(2,3)4)15(18-22(5)6)16(19)20-12-14-10-8-7-9-11-14/h7-11,13,15,18,22H,12H2,1-6H3/t13?,15-/m0/s1
InChIKeyLCPGBQPYEPZVDM-WUJWULDRSA-N
XLogP2.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.88
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

benzyl 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 123691053
(2R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoic acid;sulfane
CID 160908692
benzyl N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]carbamate
CID 162467549
benzyl (2S)-3-methyl-2-(methylamino)butanoate
CID 7020231
benzyl N-[2-[(2-methylpropan-2-yl)oxy]pentan-3-yl]carbamate
CID 22951368
benzyl (2S)-2-(2,2-dimethylpropanoylamino)-3-methylbutanoate
CID 165166794
benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
CID 144967680
benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate
CID 153440550
N-cyclohexylcyclohexanamine;3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoic acid
CID 18316111
(2,5-dioxopyrrolidin-1-yl) 3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoate
CID 2775787
methyl (2R,5S)-6-[(2-methylpropan-2-yl)oxy]-2-(2-methylpropyl)-4-oxo-5-(phenylmethoxycarbonylamino)heptanoate
CID 167609054
benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate
CID 67291803

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate?
The IUPAC name of benzyl (2S)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate (CID 173345881) is benzyl (2S)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate.
What is the SMILES notation for benzyl (2S)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate?
The canonical SMILES for benzyl (2S)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate is CC(OC(C)(C)C)[C@H](N[SiH](C)C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate?
The InChIKey is LCPGBQPYEPZVDM-WUJWULDRSA-N. The full InChI is InChI=1S/C17H29NO3Si/c1-13(21-17(2,3)4)15(18-22(5)6)16(19)20-12-14-10-8-7-9-11-14/h7-11,13,15,18,22H,12H2,1-6H3/t13?,15-/m0/s1.
What are the key properties of benzyl (2S)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate?
benzyl (2S)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate has a molecular weight of 323.51 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate is sourced from PubChem (CID 173345881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).