ethyl 2-(1-phenylethenylamino)acetate

C12H15NO2 — CID 142204564

IUPACethyl 2-(1-phenylethenylamino)acetate
SMILESC=C(NCC(=O)OCC)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h4-8,13H,2-3,9H2,1H3
InChIKeyMSNCESFHTZERJG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.81
Rot. Bonds5

About ethyl 2-(1-phenylethenylamino)acetate

ethyl 2-(1-phenylethenylamino)acetate (PubChem CID 142204564) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethyl 2-(1-phenylethenylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1-phenylethenylamino)acetate
PubChem CID142204564
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethyl 2-(1-phenylethenylamino)acetate
SMILESC=C(NCC(=O)OCC)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h4-8,13H,2-3,9H2,1H3
InChIKeyMSNCESFHTZERJG-UHFFFAOYSA-N
XLogP1.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134093202
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ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate
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ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate
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ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate
CID 2274410
ethyl 2-[[(E)-1-methylsulfanyl-3-oxo-3-phenylprop-1-enyl]amino]acetate
CID 134923099
CID 6332799
CID 6332799
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl (Z)-3-phenylpent-3-enoate
CID 134988020
ethyl 5-phenylhex-5-enoate
CID 146276439
ethyl 2-[[2-(4-phenylphenyl)acetyl]amino]acetate
CID 163761967
ethyl 3,5-dioxo-5-phenylpentanoate
CID 14099759

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-phenylethenylamino)acetate?
The IUPAC name of ethyl 2-(1-phenylethenylamino)acetate (CID 142204564) is ethyl 2-(1-phenylethenylamino)acetate.
What is the SMILES notation for ethyl 2-(1-phenylethenylamino)acetate?
The canonical SMILES for ethyl 2-(1-phenylethenylamino)acetate is C=C(NCC(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl 2-(1-phenylethenylamino)acetate?
The InChIKey is MSNCESFHTZERJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h4-8,13H,2-3,9H2,1H3.
What are the key properties of ethyl 2-(1-phenylethenylamino)acetate?
ethyl 2-(1-phenylethenylamino)acetate has a molecular weight of 205.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-phenylethenylamino)acetate is sourced from PubChem (CID 142204564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).