ethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate

C11H21N3O2 — CID 88578250

IUPACethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate
SMILESC=C(C)NCCNC(=C)NCC(=O)OCC
InChIInChI=1S/C11H21N3O2/c1-5-16-11(15)8-14-10(4)13-7-6-12-9(2)3/h12-14H,2,4-8H2,1,3H3
InChIKeyFYOMOQLETAOENT-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.32
Rot. Bonds9

About ethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate

ethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate (PubChem CID 88578250) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is ethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate
PubChem CID88578250
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Nameethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate
SMILESC=C(C)NCCNC(=C)NCC(=O)OCC
InChIInChI=1S/C11H21N3O2/c1-5-16-11(15)8-14-10(4)13-7-6-12-9(2)3/h12-14H,2,4-8H2,1,3H3
InChIKeyFYOMOQLETAOENT-UHFFFAOYSA-N
XLogP0.32
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
(2-ethoxy-2-oxoethyl) 2-acetamidoacetate
CID 4227127
N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 21030566
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
(2-ethoxy-2-oxoethyl)carbamothioic S-acid
CID 123218548
ethyl 4-[2-(2-methylprop-2-enoylamino)ethylamino]-4-oxobutanoate
CID 138741807
ethyl 2-(pentanoylamino)acetate
CID 4279931
ethyl 2-[(2-methylpropan-2-yl)oxyamino]acetate
CID 82723991
ethyl 2-(1-phenylethenylamino)acetate
CID 142204564
ethyl 2-(chlorooxyamino)acetate
CID 18800647
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
ethyl 2-(diethylcarbamoylamino)acetate
CID 43385178

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate?
The IUPAC name of ethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate (CID 88578250) is ethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate.
What is the SMILES notation for ethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate?
The canonical SMILES for ethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate is C=C(C)NCCNC(=C)NCC(=O)OCC.
What is the InChIKey of ethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate?
The InChIKey is FYOMOQLETAOENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-16-11(15)8-14-10(4)13-7-6-12-9(2)3/h12-14H,2,4-8H2,1,3H3.
What are the key properties of ethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate?
ethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate has a molecular weight of 227.31 g/mol, XLogP of 0.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate is sourced from PubChem (CID 88578250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).