ethyl 4-[methyl(prop-2-enyl)amino]butanoate

C10H19NO2 — CID 19426633

IUPACethyl 4-[methyl(prop-2-enyl)amino]butanoate
SMILESC=CCN(C)CCCC(=O)OCC
InChIInChI=1S/C10H19NO2/c1-4-8-11(3)9-6-7-10(12)13-5-2/h4H,1,5-9H2,2-3H3
InChIKeyYMFYEQUIBCLVQH-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.45
Rot. Bonds7

About ethyl 4-[methyl(prop-2-enyl)amino]butanoate

ethyl 4-[methyl(prop-2-enyl)amino]butanoate (PubChem CID 19426633) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 4-[methyl(prop-2-enyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[methyl(prop-2-enyl)amino]butanoate
PubChem CID19426633
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 4-[methyl(prop-2-enyl)amino]butanoate
SMILESC=CCN(C)CCCC(=O)OCC
InChIInChI=1S/C10H19NO2/c1-4-8-11(3)9-6-7-10(12)13-5-2/h4H,1,5-9H2,2-3H3
InChIKeyYMFYEQUIBCLVQH-UHFFFAOYSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Butyric acid, 4-diethylamino-, ethyl ester
CID 45407
4-[Dimethyl(prop-2-enyl)azaniumyl]butanoate
CID 90655227
Ethyl 3-[methyl(prop-2-enyl)amino]propanoate
CID 19426639
4-(N,N-diallyl-N-methylammonio)-butanoate
CID 87275044
Ethyl 4-[butyl(methyl)amino]butanoate
CID 60346569
Ethyl 3-[bis(prop-2-enyl)amino]propanoate
CID 60649442
Ethyl-3-(diethylaminomethyl)but-3-enoate
CID 129771348
Diallylbis(3-ethoxycarbonylpropyl)ammonium chloride
CID 129826539
Ethyl 4-(diallyl-amino)butanoate
CID 129826550
(4-Ethoxy-4-oxobutyl)-diethyl-methylazanium
CID 216724
Ethyl 4-[(3-ethoxy-3-oxopropyl)-prop-2-enylamino]butanoate
CID 46900986
Butyl 4-(prop-2-enylamino)butanoate
CID 54043239

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl(prop-2-enyl)amino]butanoate?
The IUPAC name of ethyl 4-[methyl(prop-2-enyl)amino]butanoate (CID 19426633) is ethyl 4-[methyl(prop-2-enyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[methyl(prop-2-enyl)amino]butanoate?
The canonical SMILES for ethyl 4-[methyl(prop-2-enyl)amino]butanoate is C=CCN(C)CCCC(=O)OCC.
What is the InChIKey of ethyl 4-[methyl(prop-2-enyl)amino]butanoate?
The InChIKey is YMFYEQUIBCLVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-8-11(3)9-6-7-10(12)13-5-2/h4H,1,5-9H2,2-3H3.
What are the key properties of ethyl 4-[methyl(prop-2-enyl)amino]butanoate?
ethyl 4-[methyl(prop-2-enyl)amino]butanoate has a molecular weight of 185.27 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl(prop-2-enyl)amino]butanoate is sourced from PubChem (CID 19426633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).