trans-(2S,3S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2,3-diphenylcyclopropane-1-carboxamide

C27H39NO2Si — CID 11235965

IUPACtrans-(2S,3S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2,3-diphenylcyclopropane-1-carboxamide
SMILESCC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C1[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C27H39NO2Si/c1-19(2)22(18-30-31(6,7)27(3,4)5)28-26(29)25-23(20-14-10-8-11-15-20)24(25)21-16-12-9-13-17-21/h8-17,19,22-25H,18H2,1-7H3,(H,28,29)/t22-,23+,24+/m1/s1
InChIKeyAEHKMTZWYKAQLW-SGNDLWITSA-N
MW437.70 g/mol
LogP6.35
Rot. Bonds8

About trans-(2S,3S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2,3-diphenylcyclopropane-1-carboxamide

trans-(2S,3S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2,3-diphenylcyclopropane-1-carboxamide (PubChem CID 11235965) has the molecular formula C27H39NO2Si and a molecular weight of 437.70 g/mol. Its IUPAC name is trans-(2S,3S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2,3-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(2S,3S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2,3-diphenylcyclopropane-1-carboxamide
PubChem CID11235965
Molecular FormulaC27H39NO2Si
Molecular Weight437.70 g/mol
Exact Mass437.28
IUPAC Nametrans-(2S,3S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2,3-diphenylcyclopropane-1-carboxamide
SMILESCC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C1[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C27H39NO2Si/c1-19(2)22(18-30-31(6,7)27(3,4)5)28-26(29)25-23(20-14-10-8-11-15-20)24(25)21-16-12-9-13-17-21/h8-17,19,22-25H,18H2,1-7H3,(H,28,29)/t22-,23+,24+/m1/s1
InChIKeyAEHKMTZWYKAQLW-SGNDLWITSA-N
XLogP6.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.70
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,3S)-2-[(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-3-phenylcyclopropane-1-carboxylic acid
CID 10742761
(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 129403826
[(3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxycarbonylamino)pent-1-en-3-yl] acetate
CID 10971559
(4S,5S)-N-benzyl-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxamide
CID 101096885
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
benzyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-[(2S)-oxiran-2-yl]butan-2-yl]carbamate
CID 11338426
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]carbamate
CID 11314550
[1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-5-(tritylamino)pentan-2-yl]carbamic acid
CID 18672180
N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide
CID 11134602
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-phenylbutanoate
CID 99772458
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-phenylbutanoate
CID 99772457
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399

Frequently Asked Questions

What is the IUPAC name of trans-(2S,3S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2,3-diphenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(2S,3S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2,3-diphenylcyclopropane-1-carboxamide (CID 11235965) is trans-(2S,3S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2,3-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(2S,3S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2,3-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(2S,3S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2,3-diphenylcyclopropane-1-carboxamide is CC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C1[C@@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of trans-(2S,3S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2,3-diphenylcyclopropane-1-carboxamide?
The InChIKey is AEHKMTZWYKAQLW-SGNDLWITSA-N. The full InChI is InChI=1S/C27H39NO2Si/c1-19(2)22(18-30-31(6,7)27(3,4)5)28-26(29)25-23(20-14-10-8-11-15-20)24(25)21-16-12-9-13-17-21/h8-17,19,22-25H,18H2,1-7H3,(H,28,29)/t22-,23+,24+/m1/s1.
What are the key properties of trans-(2S,3S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2,3-diphenylcyclopropane-1-carboxamide?
trans-(2S,3S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2,3-diphenylcyclopropane-1-carboxamide has a molecular weight of 437.70 g/mol, XLogP of 6.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,3S)-N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2,3-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 11235965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).