ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate

C24H33NO4Si — CID 10550433

IUPACethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
SMILESCCOC(=O)[C@@H]([C@H](NC(=O)OC(C)(C)C)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H33NO4Si/c1-7-28-22(26)21(30(5,6)19-16-12-9-13-17-19)20(18-14-10-8-11-15-18)25-23(27)29-24(2,3)4/h8-17,20-21H,7H2,1-6H3,(H,25,27)/t20-,21-/m1/s1
InChIKeyLBWZTQZSNSHXAL-NHCUHLMSSA-N
MW427.62 g/mol
LogP4.80
Rot. Bonds7

About ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate

ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate (PubChem CID 10550433) has the molecular formula C24H33NO4Si and a molecular weight of 427.62 g/mol. Its IUPAC name is ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
PubChem CID10550433
Molecular FormulaC24H33NO4Si
Molecular Weight427.62 g/mol
Exact Mass427.22
IUPAC Nameethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
SMILESCCOC(=O)[C@@H]([C@H](NC(=O)OC(C)(C)C)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H33NO4Si/c1-7-28-22(26)21(30(5,6)19-16-12-9-13-17-19)20(18-14-10-8-11-15-18)25-23(27)29-24(2,3)4/h8-17,20-21H,7H2,1-6H3,(H,25,27)/t20-,21-/m1/s1
InChIKeyLBWZTQZSNSHXAL-NHCUHLMSSA-N
XLogP4.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.62
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl (2S)-2-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]-3-oxobutanoate
CID 46913460
tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate
CID 18378512
tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate
CID 102077726
tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate
CID 20805642
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
dibenzyl 2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]propanedioate
CID 102184281
tert-butyl N-[(1R)-2,2-dicyano-1-phenylethyl]carbamate
CID 122398460
ethyl (E,5S,6S)-5-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-2-enoate
CID 44597263
bis(prop-2-enyl) 2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]propanedioate
CID 23659168
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048
tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate
CID 10286488

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate?
The IUPAC name of ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate (CID 10550433) is ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate.
What is the SMILES notation for ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate?
The canonical SMILES for ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate is CCOC(=O)[C@@H]([C@H](NC(=O)OC(C)(C)C)c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate?
The InChIKey is LBWZTQZSNSHXAL-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H33NO4Si/c1-7-28-22(26)21(30(5,6)19-16-12-9-13-17-19)20(18-14-10-8-11-15-18)25-23(27)29-24(2,3)4/h8-17,20-21H,7H2,1-6H3,(H,25,27)/t20-,21-/m1/s1.
What are the key properties of ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate?
ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate has a molecular weight of 427.62 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate is sourced from PubChem (CID 10550433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).