methyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate

C19H32N4O3Si2 — CID 101372629

IUPACmethyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate
SMILESCOC(=O)C(N=[N+]=[N-])C(=O)N(CCc1ccccc1)C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H32N4O3Si2/c1-26-18(25)16(21-22-20)17(24)23(14-13-15-11-9-8-10-12-15)19(27(2,3)4)28(5,6)7/h8-12,16,19H,13-14H2,1-7H3
InChIKeyZIRXPTPHFPPWKY-UHFFFAOYSA-N
MW420.66 g/mol
LogP4.03
Rot. Bonds9

About methyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate

methyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate (PubChem CID 101372629) has the molecular formula C19H32N4O3Si2 and a molecular weight of 420.66 g/mol. Its IUPAC name is methyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate
PubChem CID101372629
Molecular FormulaC19H32N4O3Si2
Molecular Weight420.66 g/mol
Exact Mass420.20
IUPAC Namemethyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate
SMILESCOC(=O)C(N=[N+]=[N-])C(=O)N(CCc1ccccc1)C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H32N4O3Si2/c1-26-18(25)16(21-22-20)17(24)23(14-13-15-11-9-8-10-12-15)19(27(2,3)4)28(5,6)7/h8-12,16,19H,13-14H2,1-7H3
InChIKeyZIRXPTPHFPPWKY-UHFFFAOYSA-N
XLogP4.03
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.66
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate with MolForge

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Related Compounds

[1-methoxy-3-[4-methoxy-N-(2-phenylethyl)anilino]-1,3-dioxopropan-2-yl]iminoazanide
CID 10021089
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate
CID 79414965
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate
CID 65487284
ethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate
CID 58706122
methyl (2S)-2-(chloroamino)-4-phenylbutanoate
CID 121299211
methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate
CID 15138856
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
(3R)-3-methoxycarbonyl-5-phenylpentanoic acid
CID 18652850
methyl 2-(ethylaminomethyl)-4-phenylbutanoate
CID 70089757
methyl 4-[4-[(R)-azido(phenyl)methyl]phenyl]butanoate
CID 10733679

Frequently Asked Questions

What is the IUPAC name of methyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate?
The IUPAC name of methyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate (CID 101372629) is methyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate.
What is the SMILES notation for methyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate?
The canonical SMILES for methyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate is COC(=O)C(N=[N+]=[N-])C(=O)N(CCc1ccccc1)C([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of methyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate?
The InChIKey is ZIRXPTPHFPPWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3Si2/c1-26-18(25)16(21-22-20)17(24)23(14-13-15-11-9-8-10-12-15)19(27(2,3)4)28(5,6)7/h8-12,16,19H,13-14H2,1-7H3.
What are the key properties of methyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate?
methyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate has a molecular weight of 420.66 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-azido-3-[bis(trimethylsilyl)methyl-(2-phenylethyl)amino]-3-oxopropanoate is sourced from PubChem (CID 101372629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).