[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate

C28H49NO6Si — CID 71506563

IUPAC[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate
SMILESCON(C)C(=O)[C@H](OC(=O)C(C)(C)C)[C@@H](CCO[Si](C(C)C)(C(C)C)C(C)C)OCc1ccccc1
InChIInChI=1S/C28H49NO6Si/c1-20(2)36(21(3)4,22(5)6)34-18-17-24(33-19-23-15-13-12-14-16-23)25(26(30)29(10)32-11)35-27(31)28(7,8)9/h12-16,20-22,24-25H,17-19H2,1-11H3/t24-,25-/m1/s1
InChIKeyPQHXGVANSFMEIX-JWQCQUIFSA-N
MW523.79 g/mol
LogP6.13
Rot. Bonds14

About [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate

[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate (PubChem CID 71506563) has the molecular formula C28H49NO6Si and a molecular weight of 523.79 g/mol. Its IUPAC name is [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate
PubChem CID71506563
Molecular FormulaC28H49NO6Si
Molecular Weight523.79 g/mol
Exact Mass523.33
IUPAC Name[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate
SMILESCON(C)C(=O)[C@H](OC(=O)C(C)(C)C)[C@@H](CCO[Si](C(C)C)(C(C)C)C(C)C)OCc1ccccc1
InChIInChI=1S/C28H49NO6Si/c1-20(2)36(21(3)4,22(5)6)34-18-17-24(33-19-23-15-13-12-14-16-23)25(26(30)29(10)32-11)35-27(31)28(7,8)9/h12-16,20-22,24-25H,17-19H2,1-11H3/t24-,25-/m1/s1
InChIKeyPQHXGVANSFMEIX-JWQCQUIFSA-N
XLogP6.13
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.79
LogP ≤ 56.13
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-4-tri(propan-2-yl)silyloxybutan-2-yl] 2,2-dimethylpropanoate
CID 102345387
(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
(3S,4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyhexan-2-one
CID 11753665
(2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide
CID 161216773
benzyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo(1,2,3-13C3)propan-2-yl]carbamate
CID 73292966
benzyl N-(2-bromoethyl)-N-[2-tri(propan-2-yl)silyloxyethyl]carbamate
CID 20740326
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
benzyl N-[(2S)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 10469699

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate (CID 71506563) is [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate is CON(C)C(=O)[C@H](OC(=O)C(C)(C)C)[C@@H](CCO[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-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate?
The InChIKey is PQHXGVANSFMEIX-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H49NO6Si/c1-20(2)36(21(3)4,22(5)6)34-18-17-24(33-19-23-15-13-12-14-16-23)25(26(30)29(10)32-11)35-27(31)28(7,8)9/h12-16,20-22,24-25H,17-19H2,1-11H3/t24-,25-/m1/s1.
What are the key properties of [(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate?
[(2R,3R)-1-[methoxy(methyl)amino]-1-oxo-3-phenylmethoxy-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate has a molecular weight of 523.79 g/mol, XLogP of 6.13, 14 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-5-tri(propan-2-yl)silyloxypentan-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 71506563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).