ethyl 2-[[(E)-but-2-enyl]amino]acetate

C8H15NO2 — CID 13326685

IUPACethyl 2-[[(E)-but-2-enyl]amino]acetate
SMILESC/C=C/CNCC(=O)OCC
InChIInChI=1S/C8H15NO2/c1-3-5-6-9-7-8(10)11-4-2/h3,5,9H,4,6-7H2,1-2H3/b5-3+
InChIKeyGQGSMTGTQYWKHV-HWKANZROSA-N
MW157.21 g/mol
LogP0.72
Rot. Bonds5

About ethyl 2-[[(E)-but-2-enyl]amino]acetate

ethyl 2-[[(E)-but-2-enyl]amino]acetate (PubChem CID 13326685) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl 2-[[(E)-but-2-enyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(E)-but-2-enyl]amino]acetate
PubChem CID13326685
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl 2-[[(E)-but-2-enyl]amino]acetate
SMILESC/C=C/CNCC(=O)OCC
InChIInChI=1S/C8H15NO2/c1-3-5-6-9-7-8(10)11-4-2/h3,5,9H,4,6-7H2,1-2H3/b5-3+
InChIKeyGQGSMTGTQYWKHV-HWKANZROSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethyl N-(2,7-octadienyl)glycinate
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Oxalic acid, monoamide, N-allyl-, propyl ester
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Prop-2-enyl 2-(ethylamino)acetate
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Ethyl 2-(but-2-enoylamino)acetate
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ethyl 2-[[(E)-but-2-enoyl]amino]acetate
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Ethyl 2-(pent-4-enylamino)acetate
CID 10878349
Ethyl 2-(2-methylprop-2-enylamino)acetate
CID 11332603
2-Methyl-N-(2-propenyl)alanine methyl ester
CID 12096492

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(E)-but-2-enyl]amino]acetate?
The IUPAC name of ethyl 2-[[(E)-but-2-enyl]amino]acetate (CID 13326685) is ethyl 2-[[(E)-but-2-enyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(E)-but-2-enyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(E)-but-2-enyl]amino]acetate is C/C=C/CNCC(=O)OCC.
What is the InChIKey of ethyl 2-[[(E)-but-2-enyl]amino]acetate?
The InChIKey is GQGSMTGTQYWKHV-HWKANZROSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-6-9-7-8(10)11-4-2/h3,5,9H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of ethyl 2-[[(E)-but-2-enyl]amino]acetate?
ethyl 2-[[(E)-but-2-enyl]amino]acetate has a molecular weight of 157.21 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(E)-but-2-enyl]amino]acetate is sourced from PubChem (CID 13326685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).