methyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate

C18H29NO2Si — CID 10903266

IUPACmethyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate
SMILESC=C([C@H](C)[C@@](N)(C(=O)OC)C(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H29NO2Si/c1-13(2)18(19,17(20)21-5)14(3)15(4)22(6,7)16-11-9-8-10-12-16/h8-14H,4,19H2,1-3,5-7H3/t14-,18+/m0/s1
InChIKeyDBXWHEXBLAAXLT-KBXCAEBGSA-N
MW319.52 g/mol
LogP2.86
Rot. Bonds6

About methyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate

methyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate (PubChem CID 10903266) has the molecular formula C18H29NO2Si and a molecular weight of 319.52 g/mol. Its IUPAC name is methyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate
PubChem CID10903266
Molecular FormulaC18H29NO2Si
Molecular Weight319.52 g/mol
Exact Mass319.20
IUPAC Namemethyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate
SMILESC=C([C@H](C)[C@@](N)(C(=O)OC)C(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H29NO2Si/c1-13(2)18(19,17(20)21-5)14(3)15(4)22(6,7)16-11-9-8-10-12-16/h8-14H,4,19H2,1-3,5-7H3/t14-,18+/m0/s1
InChIKeyDBXWHEXBLAAXLT-KBXCAEBGSA-N
XLogP2.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate 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

methyl (E,2S,3R)-2-amino-5-(4-fluorophenyl)-2,3-dimethylpent-4-enoate
CID 146167422
methyl (2R,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylpent-4-enoate
CID 10982674
methyl (E,2R,3R)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 11334911
methyl (E,2S)-2-amino-2-methyl-5-phenylpent-4-enoate
CID 13179694
methyl (E,2R,3S)-2-amino-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 91978338
ethyl (E,2R)-2-amino-2-methyl-5-phenylpent-4-enoate
CID 101333144
methyl (E,2R)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate
CID 134918310
methyl (E,2R)-2-amino-2-[(E)-3-phenylprop-2-enyl]hex-4-enoate
CID 134970047
methyl (E,2S)-2-amino-2-[(E)-3-phenylprop-2-enyl]hex-4-enoate
CID 134970092
ethyl (E,2S)-2-amino-5-phenyl-2-propan-2-ylpent-4-enoate
CID 146162282
ethyl (E,2R)-2-amino-2-ethyl-5-phenylpent-4-enoate
CID 146162572
methyl (E,2S,3R)-2-amino-2,3-dimethyl-5-(4-methylphenyl)pent-4-enoate
CID 146167402

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate?
The IUPAC name of methyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate (CID 10903266) is methyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate.
What is the SMILES notation for methyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate?
The canonical SMILES for methyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate is C=C([C@H](C)[C@@](N)(C(=O)OC)C(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate?
The InChIKey is DBXWHEXBLAAXLT-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H29NO2Si/c1-13(2)18(19,17(20)21-5)14(3)15(4)22(6,7)16-11-9-8-10-12-16/h8-14H,4,19H2,1-3,5-7H3/t14-,18+/m0/s1.
What are the key properties of methyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate?
methyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate has a molecular weight of 319.52 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-amino-4-[dimethyl(phenyl)silyl]-3-methyl-2-propan-2-ylpent-4-enoate is sourced from PubChem (CID 10903266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).