methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate

C23H35NO5Si — CID 10972110

IUPACmethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate
SMILESCOC(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H](Nc1ccc(OC)cc1)c1ccco1
InChIInChI=1S/C23H35NO5Si/c1-16(29-30(7,8)23(2,3)4)20(22(25)27-6)21(19-10-9-15-28-19)24-17-11-13-18(26-5)14-12-17/h9-16,20-21,24H,1-8H3/t16-,20-,21+/m1/s1
InChIKeyQUWJERDYLHWJMX-HBGVWJBISA-N
MW433.62 g/mol
LogP5.64
Rot. Bonds9

About methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate

methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate (PubChem CID 10972110) has the molecular formula C23H35NO5Si and a molecular weight of 433.62 g/mol. Its IUPAC name is methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate
PubChem CID10972110
Molecular FormulaC23H35NO5Si
Molecular Weight433.62 g/mol
Exact Mass433.23
IUPAC Namemethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate
SMILESCOC(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H](Nc1ccc(OC)cc1)c1ccco1
InChIInChI=1S/C23H35NO5Si/c1-16(29-30(7,8)23(2,3)4)20(22(25)27-6)21(19-10-9-15-28-19)24-17-11-13-18(26-5)14-12-17/h9-16,20-21,24H,1-8H3/t16-,20-,21+/m1/s1
InChIKeyQUWJERDYLHWJMX-HBGVWJBISA-N
XLogP5.64
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.62
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate 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 (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate?
The IUPAC name of methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate (CID 10972110) is methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate.
What is the SMILES notation for methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate?
The canonical SMILES for methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate is COC(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H](Nc1ccc(OC)cc1)c1ccco1.
What is the InChIKey of methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate?
The InChIKey is QUWJERDYLHWJMX-HBGVWJBISA-N. The full InChI is InChI=1S/C23H35NO5Si/c1-16(29-30(7,8)23(2,3)4)20(22(25)27-6)21(19-10-9-15-28-19)24-17-11-13-18(26-5)14-12-17/h9-16,20-21,24H,1-8H3/t16-,20-,21+/m1/s1.
What are the key properties of methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate?
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate has a molecular weight of 433.62 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(R)-furan-2-yl-(4-methoxyanilino)methyl]butanoate is sourced from PubChem (CID 10972110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).