triphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate

C29H33NO3Sn — CID 139242363

IUPACtriphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate
SMILESCC(=O)/C=C(/C)N[C@@H](CC(C)C)C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C11H19NO3.3C6H5.Sn/c1-7(2)5-10(11(14)15)12-8(3)6-9(4)13;3*1-2-4-6-5-3-1;/h6-7,10,12H,5H2,1-4H3,(H,14,15);3*1-5H;/q;;;;+1/p-1/b8-6-;;;;/t10-;;;;/m0..../s1
InChIKeyHKSNOTSCKHFSAF-OKZOOCEQSA-M
MW562.30 g/mol
LogP3.69
Rot. Bonds10

About triphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate

triphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate (PubChem CID 139242363) has the molecular formula C29H33NO3Sn and a molecular weight of 562.30 g/mol. Its IUPAC name is triphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate.

Molecular Properties

Compound Nametriphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate
PubChem CID139242363
Molecular FormulaC29H33NO3Sn
Molecular Weight562.30 g/mol
Exact Mass563.15
IUPAC Nametriphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate
SMILESCC(=O)/C=C(/C)N[C@@H](CC(C)C)C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C11H19NO3.3C6H5.Sn/c1-7(2)5-10(11(14)15)12-8(3)6-9(4)13;3*1-2-4-6-5-3-1;/h6-7,10,12H,5H2,1-4H3,(H,14,15);3*1-5H;/q;;;;+1/p-1/b8-6-;;;;/t10-;;;;/m0..../s1
InChIKeyHKSNOTSCKHFSAF-OKZOOCEQSA-M
XLogP3.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze triphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate with MolForge

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Related Compounds

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methyl (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-4-methylpentanoate
CID 104898337
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
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methyl 2-[(3-amino-3-phenylpropanoyl)amino]-4-methylpentanoate
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methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate
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[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] benzoate
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Frequently Asked Questions

What is the IUPAC name of triphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate?
The IUPAC name of triphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate (CID 139242363) is triphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate.
What is the SMILES notation for triphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate?
The canonical SMILES for triphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate is CC(=O)/C=C(/C)N[C@@H](CC(C)C)C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate?
The InChIKey is HKSNOTSCKHFSAF-OKZOOCEQSA-M. The full InChI is InChI=1S/C11H19NO3.3C6H5.Sn/c1-7(2)5-10(11(14)15)12-8(3)6-9(4)13;3*1-2-4-6-5-3-1;/h6-7,10,12H,5H2,1-4H3,(H,14,15);3*1-5H;/q;;;;+1/p-1/b8-6-;;;;/t10-;;;;/m0..../s1.
What are the key properties of triphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate?
triphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate has a molecular weight of 562.30 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylstannyl (2S)-4-methyl-2-[[(Z)-4-oxopent-2-en-2-yl]amino]pentanoate is sourced from PubChem (CID 139242363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).