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

C17H29NO3Si — CID 15456533

IUPACmethyl (2R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropanoate
SMILESCOC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)NCc1ccccc1
InChIInChI=1S/C17H29NO3Si/c1-17(2,3)22(5,6)21-13-15(16(19)20-4)18-12-14-10-8-7-9-11-14/h7-11,15,18H,12-13H2,1-6H3/t15-/m1/s1
InChIKeyAJBWCMQIECXURM-OAHLLOKOSA-N
MW323.51 g/mol
LogP3.34
Rot. Bonds7

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

methyl (2R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropanoate (PubChem CID 15456533) has the molecular formula C17H29NO3Si and a molecular weight of 323.51 g/mol. Its IUPAC name is methyl (2R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropanoate
PubChem CID15456533
Molecular FormulaC17H29NO3Si
Molecular Weight323.51 g/mol
Exact Mass323.19
IUPAC Namemethyl (2R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropanoate
SMILESCOC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)NCc1ccccc1
InChIInChI=1S/C17H29NO3Si/c1-17(2,3)22(5,6)21-13-15(16(19)20-4)18-12-14-10-8-7-9-11-14/h7-11,15,18H,12-13H2,1-6H3/t15-/m1/s1
InChIKeyAJBWCMQIECXURM-OAHLLOKOSA-N
XLogP3.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropanoate?
The IUPAC name of methyl (2R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropanoate (CID 15456533) is methyl (2R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropanoate.
What is the SMILES notation for methyl (2R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropanoate?
The canonical SMILES for methyl (2R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropanoate is COC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)NCc1ccccc1.
What is the InChIKey of methyl (2R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropanoate?
The InChIKey is AJBWCMQIECXURM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29NO3Si/c1-17(2,3)22(5,6)21-13-15(16(19)20-4)18-12-14-10-8-7-9-11-14/h7-11,15,18H,12-13H2,1-6H3/t15-/m1/s1.
What are the key properties of methyl (2R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropanoate?
methyl (2R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropanoate has a molecular weight of 323.51 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypropanoate is sourced from PubChem (CID 15456533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).