methyl (3S)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxopentanoate

C19H24N2O4Si — CID 102574381

IUPACmethyl (3S)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxopentanoate
SMILESC=CC[Si](C)(C)[C@@H](CC(=O)NC(=O)c1ccccc1)C(C#N)C(=O)OC
InChIInChI=1S/C19H24N2O4Si/c1-5-11-26(3,4)16(15(13-20)19(24)25-2)12-17(22)21-18(23)14-9-7-6-8-10-14/h5-10,15-16H,1,11-12H2,2-4H3,(H,21,22,23)/t15?,16-/m0/s1
InChIKeyFNYLCRHANZACRY-LYKKTTPLSA-N
MW372.50 g/mol
LogP2.91
Rot. Bonds8

About methyl (3S)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxopentanoate

methyl (3S)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxopentanoate (PubChem CID 102574381) has the molecular formula C19H24N2O4Si and a molecular weight of 372.50 g/mol. Its IUPAC name is methyl (3S)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl (3S)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxopentanoate
PubChem CID102574381
Molecular FormulaC19H24N2O4Si
Molecular Weight372.50 g/mol
Exact Mass372.15
IUPAC Namemethyl (3S)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxopentanoate
SMILESC=CC[Si](C)(C)[C@@H](CC(=O)NC(=O)c1ccccc1)C(C#N)C(=O)OC
InChIInChI=1S/C19H24N2O4Si/c1-5-11-26(3,4)16(15(13-20)19(24)25-2)12-17(22)21-18(23)14-9-7-6-8-10-14/h5-10,15-16H,1,11-12H2,2-4H3,(H,21,22,23)/t15?,16-/m0/s1
InChIKeyFNYLCRHANZACRY-LYKKTTPLSA-N
XLogP2.91
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (3R)-5-benzamido-2-cyano-3-(4-fluorophenyl)-5-oxopentanoate
CID 11773030
methyl (3S)-5-benzamido-2-cyano-3-(4-fluorophenyl)-5-oxopentanoate
CID 134918017
methyl (3R)-3-(2-benzamido-2-oxoethyl)-2-cyanohexanoate
CID 101755922
methyl (3S)-5-benzamido-2-cyano-5-oxo-3-propan-2-ylpentanoate
CID 101755923
methyl (2S,3S)-3-(2-benzamido-2-oxoethyl)-2-cyano-2-phenylhexanoate
CID 101755924
methyl (2S,3R)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxo-2-phenylpentanoate
CID 102574383
ethyl (4R)-6-benzamido-4-cyano-6-oxohexanoate
CID 134840423
methyl (2R,3R)-3-(2-benzamido-2-oxoethyl)-2-cyano-2-phenylhexanoate
CID 134918018
methyl (3R)-3-(2-benzamido-2-oxoethyl)-2-cyano-2-phenylhexanoate
CID 135000273
methyl (3R)-3-(2-benzamido-2-oxoethyl)-2-cyano-5-methyl-2-phenylhexanoate
CID 135001188
Methyl 5-(6-benzamidohexanoylamino)pentanoate
CID 22104036
methyl (3R)-5-benzamido-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-cyano-5-oxopentanoate
CID 11316425

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxopentanoate?
The IUPAC name of methyl (3S)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxopentanoate (CID 102574381) is methyl (3S)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxopentanoate.
What is the SMILES notation for methyl (3S)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxopentanoate?
The canonical SMILES for methyl (3S)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxopentanoate is C=CC[Si](C)(C)[C@@H](CC(=O)NC(=O)c1ccccc1)C(C#N)C(=O)OC.
What is the InChIKey of methyl (3S)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxopentanoate?
The InChIKey is FNYLCRHANZACRY-LYKKTTPLSA-N. The full InChI is InChI=1S/C19H24N2O4Si/c1-5-11-26(3,4)16(15(13-20)19(24)25-2)12-17(22)21-18(23)14-9-7-6-8-10-14/h5-10,15-16H,1,11-12H2,2-4H3,(H,21,22,23)/t15?,16-/m0/s1.
What are the key properties of methyl (3S)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxopentanoate?
methyl (3S)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxopentanoate has a molecular weight of 372.50 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-5-benzamido-2-cyano-3-[dimethyl(prop-2-enyl)silyl]-5-oxopentanoate is sourced from PubChem (CID 102574381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).