ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate

C12H21NO2 — CID 103265214

IUPACethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate
SMILESC=C(CNCCC1CCC1)C(=O)OCC
InChIInChI=1S/C12H21NO2/c1-3-15-12(14)10(2)9-13-8-7-11-5-4-6-11/h11,13H,2-9H2,1H3
InChIKeyIGBPMIFSASBDER-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.89
Rot. Bonds7

About ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate

ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate (PubChem CID 103265214) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate
PubChem CID103265214
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate
SMILESC=C(CNCCC1CCC1)C(=O)OCC
InChIInChI=1S/C12H21NO2/c1-3-15-12(14)10(2)9-13-8-7-11-5-4-6-11/h11,13H,2-9H2,1H3
InChIKeyIGBPMIFSASBDER-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-cyclohexyl-2-methylidenebutanoate
CID 101255888
ethyl 2-[(3-propoxypropylamino)methyl]prop-2-enoate
CID 103260774
ethyl 5-cyclohexyl-2-methylidenepentanoate
CID 54419238
ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate
CID 103254926
ethyl 3-(2-cyclohexylethylamino)propanoate
CID 60920953
ethyl 2-[[(4-ethyl-1-hydroxycyclohexyl)methylamino]methyl]prop-2-enoate
CID 103253445
methyl 2-(2-cyclopentylethylamino)acetate
CID 60919844
ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate
CID 103262400
ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate
CID 103249346
ethyl 2-[[4-(dimethylamino)butylamino]methyl]prop-2-enoate
CID 103244790
ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate
CID 66322359
ethyl 2-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]prop-2-enoate
CID 103261510

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate (CID 103265214) is ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate is C=C(CNCCC1CCC1)C(=O)OCC.
What is the InChIKey of ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate?
The InChIKey is IGBPMIFSASBDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-15-12(14)10(2)9-13-8-7-11-5-4-6-11/h11,13H,2-9H2,1H3.
What are the key properties of ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate?
ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate has a molecular weight of 211.30 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate is sourced from PubChem (CID 103265214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).