ethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate

C10H18N2O3 — CID 103102935

IUPACethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate
SMILESC=C(CN(CC)CC(N)=O)C(=O)OCC
InChIInChI=1S/C10H18N2O3/c1-4-12(7-9(11)13)6-8(3)10(14)15-5-2/h3-7H2,1-2H3,(H2,11,13)
InChIKeyOPSIYPAWMYLNRK-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.09
Rot. Bonds7

About ethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate

ethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate (PubChem CID 103102935) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate
PubChem CID103102935
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate
SMILESC=C(CN(CC)CC(N)=O)C(=O)OCC
InChIInChI=1S/C10H18N2O3/c1-4-12(7-9(11)13)6-8(3)10(14)15-5-2/h3-7H2,1-2H3,(H2,11,13)
InChIKeyOPSIYPAWMYLNRK-UHFFFAOYSA-N
XLogP-0.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[ethyl(2-methylbutyl)amino]methyl]prop-2-enoate
CID 79477343
2-[ethyl(2-oxopropyl)amino]acetamide
CID 103103058
2-[ethyl-(3-methyl-2-oxopentyl)amino]acetamide
CID 103103137
ethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate
CID 62922969
ethyl 2-(hydroperoxymethyl)prop-2-enoate
CID 19795051
ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate
CID 103102950
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-(methoxymethyl)prop-2-enoate
CID 20770134
2-[3-(diethylamino)propyl-ethylamino]acetamide
CID 102996272
ethyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103104222
ethyl 2,4-dimethylidene-5-oxohexanoate
CID 11116678
bis(ethyl 2-methylidenebutanoate);propanedioic acid
CID 87587562

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate (CID 103102935) is ethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate is C=C(CN(CC)CC(N)=O)C(=O)OCC.
What is the InChIKey of ethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate?
The InChIKey is OPSIYPAWMYLNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-12(7-9(11)13)6-8(3)10(14)15-5-2/h3-7H2,1-2H3,(H2,11,13).
What are the key properties of ethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate?
ethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate has a molecular weight of 214.26 g/mol, XLogP of -0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2-amino-2-oxoethyl)-ethylamino]methyl]prop-2-enoate is sourced from PubChem (CID 103102935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).