[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate

C27H47NO6Si — CID 102345387

IUPAC[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate
SMILESCON(C)C(=O)[C@H](OC(=O)C(C)(C)C)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OCc1ccccc1
InChIInChI=1S/C27H47NO6Si/c1-19(2)35(20(3)4,21(5)6)33-18-23(32-17-22-15-13-12-14-16-22)24(25(29)28(10)31-11)34-26(30)27(7,8)9/h12-16,19-21,23-24H,17-18H2,1-11H3/t23-,24-/m1/s1
InChIKeyHSGWVADQYMWGAD-DNQXCXABSA-N
MW509.76 g/mol
LogP5.74
Rot. Bonds13

About [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate

[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate (PubChem CID 102345387) has the molecular formula C27H47NO6Si and a molecular weight of 509.76 g/mol. Its IUPAC name is [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate
PubChem CID102345387
Molecular FormulaC27H47NO6Si
Molecular Weight509.76 g/mol
Exact Mass509.32
IUPAC Name[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate
SMILESCON(C)C(=O)[C@H](OC(=O)C(C)(C)C)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OCc1ccccc1
InChIInChI=1S/C27H47NO6Si/c1-19(2)35(20(3)4,21(5)6)33-18-23(32-17-22-15-13-12-14-16-22)24(25(29)28(10)31-11)34-26(30)27(7,8)9/h12-16,19-21,23-24H,17-18H2,1-11H3/t23-,24-/m1/s1
InChIKeyHSGWVADQYMWGAD-DNQXCXABSA-N
XLogP5.74
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.76
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate
CID 71506563
(2R,3S,4R)-N-methoxy-N-methyl-2,3,5-tris(phenylmethoxy)-4-trimethylsilyloxypentanamide
CID 156782553
benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate
CID 58120009
(2S,3R,5S)-N-methoxy-3-(methoxymethoxy)-N,2,6-trimethyl-5-phenylmethoxyheptanamide
CID 10248402
benzyl (2S)-2-amino-3-tri(propan-2-yl)silyloxypropanoate
CID 10089317
[(2S,3R,4S)-4-benzyl-3-(2-methylpropoxy)-5-tri(propan-2-yl)silyloxypentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 59037444
[2-[1-[bis(phenylmethoxy)methoxy]-2,2-bis(phenylmethoxy)ethoxy]-3-hydroxybutyl] 2,2-dimethylpropanoate
CID 166953437
benzyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo(1,2,3-13C3)propan-2-yl]carbamate
CID 73292966
benzyl N-[(2R,3R)-3-hydroxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
CID 123232862
2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide
CID 561543
1-O,2-O-dibenzyl 4-O-[(2R,3S)-2-methoxy-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl] (Z,3R)-1-methyl-3-triethylsilyloxybut-1-ene-1,2,4-tricarboxylate
CID 10676199
benzyl 2-[(2R,3S)-3-amino-1-[methoxy(methyl)amino]-1-oxo-4-phenylbutan-2-yl]oxyacetate;hydrochloride
CID 86584507

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate (CID 102345387) is [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate is CON(C)C(=O)[C@H](OC(=O)C(C)(C)C)[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OCc1ccccc1.
What is the InChIKey of [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate?
The InChIKey is HSGWVADQYMWGAD-DNQXCXABSA-N. The full InChI is InChI=1S/C27H47NO6Si/c1-19(2)35(20(3)4,21(5)6)33-18-23(32-17-22-15-13-12-14-16-22)24(25(29)28(10)31-11)34-26(30)27(7,8)9/h12-16,19-21,23-24H,17-18H2,1-11H3/t23-,24-/m1/s1.
What are the key properties of [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate?
[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate has a molecular weight of 509.76 g/mol, XLogP of 5.74, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 102345387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).