ethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate

C11H23NO2Si — CID 174274435

IUPACethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate
SMILESCCOC(=O)C(=C(N)C(C)C)[Si](C)(C)C
InChIInChI=1S/C11H23NO2Si/c1-7-14-11(13)10(15(4,5)6)9(12)8(2)3/h8H,7,12H2,1-6H3
InChIKeyRQHASXIEHPYQSY-UHFFFAOYSA-N
MW229.40 g/mol
LogP2.30
Rot. Bonds4

About ethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate

ethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate (PubChem CID 174274435) has the molecular formula C11H23NO2Si and a molecular weight of 229.40 g/mol. Its IUPAC name is ethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate.

Molecular Properties

Compound Nameethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate
PubChem CID174274435
Molecular FormulaC11H23NO2Si
Molecular Weight229.40 g/mol
Exact Mass229.15
IUPAC Nameethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate
SMILESCCOC(=O)C(=C(N)C(C)C)[Si](C)(C)C
InChIInChI=1S/C11H23NO2Si/c1-7-14-11(13)10(15(4,5)6)9(12)8(2)3/h8H,7,12H2,1-6H3
InChIKeyRQHASXIEHPYQSY-UHFFFAOYSA-N
XLogP2.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-2,4-dimethylpent-2-enoate
CID 175523894
ethyl 3-amino-2-chloro-4-methylpent-2-enoate
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CID 159370772
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diethyl (E)-2-fluoro-3-propan-2-ylbut-2-enedioate
CID 11096459
ethyl 4-methyl-3-oxo-2-propan-2-ylidenepentanoate
CID 177307724
3-O-[3-(2-ethoxycarbonylprop-2-enoyloxy)-2-methylpropyl] 1-O-ethyl 2-methylidenepropanedioate
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ethyl (Z)-2-amino-4-methylpent-2-enoate
CID 12541124

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate?
The IUPAC name of ethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate (CID 174274435) is ethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate.
What is the SMILES notation for ethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate?
The canonical SMILES for ethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate is CCOC(=O)C(=C(N)C(C)C)[Si](C)(C)C.
What is the InChIKey of ethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate?
The InChIKey is RQHASXIEHPYQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2Si/c1-7-14-11(13)10(15(4,5)6)9(12)8(2)3/h8H,7,12H2,1-6H3.
What are the key properties of ethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate?
ethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate has a molecular weight of 229.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-methyl-2-trimethylsilylpent-2-enoate is sourced from PubChem (CID 174274435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).