ethyl (3S)-3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-trimethylsilylpent-4-ynoate

C19H27NO4Si — CID 11726115

IUPACethyl (3S)-3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-trimethylsilylpent-4-ynoate
SMILESCCOC(=O)C[C@@H](C#C[Si](C)(C)C)NC(=O)[C@H](OC)c1ccccc1
InChIInChI=1S/C19H27NO4Si/c1-6-24-17(21)14-16(12-13-25(3,4)5)20-19(22)18(23-2)15-10-8-7-9-11-15/h7-11,16,18H,6,14H2,1-5H3,(H,20,22)/t16-,18-/m1/s1
InChIKeyYQVDNYJWCNEGLI-SJLPKXTDSA-N
MW361.51 g/mol
LogP2.69
Rot. Bonds7

About ethyl (3S)-3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-trimethylsilylpent-4-ynoate

ethyl (3S)-3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-trimethylsilylpent-4-ynoate (PubChem CID 11726115) has the molecular formula C19H27NO4Si and a molecular weight of 361.51 g/mol. Its IUPAC name is ethyl (3S)-3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-trimethylsilylpent-4-ynoate.

Molecular Properties

Compound Nameethyl (3S)-3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-trimethylsilylpent-4-ynoate
PubChem CID11726115
Molecular FormulaC19H27NO4Si
Molecular Weight361.51 g/mol
Exact Mass361.17
IUPAC Nameethyl (3S)-3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-trimethylsilylpent-4-ynoate
SMILESCCOC(=O)C[C@@H](C#C[Si](C)(C)C)NC(=O)[C@H](OC)c1ccccc1
InChIInChI=1S/C19H27NO4Si/c1-6-24-17(21)14-16(12-13-25(3,4)5)20-19(22)18(23-2)15-10-8-7-9-11-15/h7-11,16,18H,6,14H2,1-5H3,(H,20,22)/t16-,18-/m1/s1
InChIKeyYQVDNYJWCNEGLI-SJLPKXTDSA-N
XLogP2.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-trimethylsilylpent-4-ynoate?
The IUPAC name of ethyl (3S)-3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-trimethylsilylpent-4-ynoate (CID 11726115) is ethyl (3S)-3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-trimethylsilylpent-4-ynoate.
What is the SMILES notation for ethyl (3S)-3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-trimethylsilylpent-4-ynoate?
The canonical SMILES for ethyl (3S)-3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-trimethylsilylpent-4-ynoate is CCOC(=O)C[C@@H](C#C[Si](C)(C)C)NC(=O)[C@H](OC)c1ccccc1.
What is the InChIKey of ethyl (3S)-3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-trimethylsilylpent-4-ynoate?
The InChIKey is YQVDNYJWCNEGLI-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H27NO4Si/c1-6-24-17(21)14-16(12-13-25(3,4)5)20-19(22)18(23-2)15-10-8-7-9-11-15/h7-11,16,18H,6,14H2,1-5H3,(H,20,22)/t16-,18-/m1/s1.
What are the key properties of ethyl (3S)-3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-trimethylsilylpent-4-ynoate?
ethyl (3S)-3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-trimethylsilylpent-4-ynoate has a molecular weight of 361.51 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-trimethylsilylpent-4-ynoate is sourced from PubChem (CID 11726115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).