ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate

C10H17NO3 — CID 61011838

IUPACethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate
SMILESC/C=C/C(=O)N(CC)CC(=O)OCC
InChIInChI=1S/C10H17NO3/c1-4-7-9(12)11(5-2)8-10(13)14-6-3/h4,7H,5-6,8H2,1-3H3/b7-4+
InChIKeySVVLUIVPJAJMQB-QPJJXVBHSA-N
MW199.25 g/mol
LogP0.97
Rot. Bonds5

About ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate

ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate (PubChem CID 61011838) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate
PubChem CID61011838
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate
SMILESC/C=C/C(=O)N(CC)CC(=O)OCC
InChIInChI=1S/C10H17NO3/c1-4-7-9(12)11(5-2)8-10(13)14-6-3/h4,7H,5-6,8H2,1-3H3/b7-4+
InChIKeySVVLUIVPJAJMQB-QPJJXVBHSA-N
XLogP0.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[carbonochloridoyl(ethyl)amino]acetate
CID 168874340
ethyl 2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]-ethylamino]acetate
CID 54900830
ethyl 2-[ethyl(2-methylpropanoyl)amino]acetate
CID 61021514
ethyl 2-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-ethylamino]acetate
CID 61013050
2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid
CID 63644812
ethyl 2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]-ethylamino]acetate
CID 61012788
ethyl 2-[ethyl-(2-methylsulfonylacetyl)amino]acetate
CID 61342746
ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate
CID 107905016
ethyl 2-[ethyl(hexanoyl)amino]acetate
CID 61022826
ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
CID 61012269
ethane;ethyl 2-(dimethylamino)acetate
CID 170607054
ethyl 2-(dimethylamino)acetate;hydrochloride
CID 86629091

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate?
The IUPAC name of ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate (CID 61011838) is ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate?
The canonical SMILES for ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate is C/C=C/C(=O)N(CC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate?
The InChIKey is SVVLUIVPJAJMQB-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-7-9(12)11(5-2)8-10(13)14-6-3/h4,7H,5-6,8H2,1-3H3/b7-4+.
What are the key properties of ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate?
ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate has a molecular weight of 199.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate is sourced from PubChem (CID 61011838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).