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

C19H33NO3Si — CID 174616671

IUPACmethyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCCC(O[Si](C)(C)C(C)(C)C)C(NCc1ccccc1)C(=O)OC
InChIInChI=1S/C19H33NO3Si/c1-8-16(23-24(6,7)19(2,3)4)17(18(21)22-5)20-14-15-12-10-9-11-13-15/h9-13,16-17,20H,8,14H2,1-7H3
InChIKeyGOTQPKXXAYNIKQ-UHFFFAOYSA-N
MW351.56 g/mol
LogP4.12
Rot. Bonds8

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

methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoate (PubChem CID 174616671) has the molecular formula C19H33NO3Si and a molecular weight of 351.56 g/mol. Its IUPAC name is methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoate.

Molecular Properties

Compound Namemethyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
PubChem CID174616671
Molecular FormulaC19H33NO3Si
Molecular Weight351.56 g/mol
Exact Mass351.22
IUPAC Namemethyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
SMILESCCC(O[Si](C)(C)C(C)(C)C)C(NCc1ccccc1)C(=O)OC
InChIInChI=1S/C19H33NO3Si/c1-8-16(23-24(6,7)19(2,3)4)17(18(21)22-5)20-14-15-12-10-9-11-13-15/h9-13,16-17,20H,8,14H2,1-7H3
InChIKeyGOTQPKXXAYNIKQ-UHFFFAOYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.56
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The IUPAC name of methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoate (CID 174616671) is methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoate.
What is the SMILES notation for methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The canonical SMILES for methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoate is CCC(O[Si](C)(C)C(C)(C)C)C(NCc1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
The InChIKey is GOTQPKXXAYNIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3Si/c1-8-16(23-24(6,7)19(2,3)4)17(18(21)22-5)20-14-15-12-10-9-11-13-15/h9-13,16-17,20H,8,14H2,1-7H3.
What are the key properties of methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoate?
methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoate has a molecular weight of 351.56 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoate is sourced from PubChem (CID 174616671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).