methyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate

C20H35NO3Si — CID 10248295

IUPACmethyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CNCc1ccccc1)C(=O)OC
InChIInChI=1S/C20H35NO3Si/c1-8-18(24-25(6,7)20(2,3)4)17(19(22)23-5)15-21-14-16-12-10-9-11-13-16/h9-13,17-18,21H,8,14-15H2,1-7H3/t17-,18-/m1/s1
InChIKeyDGDGAMHGTCHJSP-QZTJIDSGSA-N
MW365.59 g/mol
LogP4.37
Rot. Bonds9

About methyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate

methyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate (PubChem CID 10248295) has the molecular formula C20H35NO3Si and a molecular weight of 365.59 g/mol. Its IUPAC name is methyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate
PubChem CID10248295
Molecular FormulaC20H35NO3Si
Molecular Weight365.59 g/mol
Exact Mass365.24
IUPAC Namemethyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CNCc1ccccc1)C(=O)OC
InChIInChI=1S/C20H35NO3Si/c1-8-18(24-25(6,7)20(2,3)4)17(19(22)23-5)15-21-14-16-12-10-9-11-13-16/h9-13,17-18,21H,8,14-15H2,1-7H3/t17-,18-/m1/s1
InChIKeyDGDGAMHGTCHJSP-QZTJIDSGSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.59
LogP ≤ 54.37
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

tert-butyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10069177
2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 174601955
methyl (2S)-3-(benzylamino)-2-methylpropanoate
CID 7020995
methyl (2S,3S)-2-[(benzylamino)methyl]-3-hydroxy-3-phenylpropanoate
CID 10086111
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-phenylmethoxybutanoate
CID 164887761
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
methyl (2S,3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-methyl-6-phenylmethoxyhexanoate
CID 15449425
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
CID 102255365
methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanoate
CID 11674267
dimethyl 4-[(benzylamino)methyl]-2,2-dimethylpentanedioate
CID 59469278
methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate
CID 101058399
2-[(benzylamino)methyl]butanamide
CID 71433052

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The IUPAC name of methyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate (CID 10248295) is methyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate.
What is the SMILES notation for methyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The canonical SMILES for methyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate is CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CNCc1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The InChIKey is DGDGAMHGTCHJSP-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H35NO3Si/c1-8-18(24-25(6,7)20(2,3)4)17(19(22)23-5)15-21-14-16-12-10-9-11-13-16/h9-13,17-18,21H,8,14-15H2,1-7H3/t17-,18-/m1/s1.
What are the key properties of methyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
methyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate has a molecular weight of 365.59 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate is sourced from PubChem (CID 10248295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).