ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate

C11H13NO4 — CID 2246384

IUPACethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)/C=C/c1ccoc1
InChIInChI=1S/C11H13NO4/c1-2-16-11(14)7-12-10(13)4-3-9-5-6-15-8-9/h3-6,8H,2,7H2,1H3,(H,12,13)/b4-3+
InChIKeyJMVVDNVBKUAIPX-ONEGZZNKSA-N
MW223.23 g/mol
LogP0.97
Rot. Bonds5

About ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate

ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate (PubChem CID 2246384) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate
PubChem CID2246384
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Nameethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)/C=C/c1ccoc1
InChIInChI=1S/C11H13NO4/c1-2-16-11(14)7-12-10(13)4-3-9-5-6-15-8-9/h3-6,8H,2,7H2,1H3,(H,12,13)/b4-3+
InChIKeyJMVVDNVBKUAIPX-ONEGZZNKSA-N
XLogP0.97
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.97
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-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]acetate
CID 113290856
ethyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]acetate
CID 6269553
ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate
CID 60817403
ethyl 2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]acetate
CID 6087824
ethyl 2-[3-(2,6-dichlorophenyl)prop-2-enoylamino]acetate
CID 2931083
(E)-3-(furan-3-yl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide
CID 71807047
methyl (E)-3-(furan-3-yl)prop-2-enoate
CID 10441877
ethyl 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]acetate
CID 47337990
ethyl 2-[[(Z)-4-(ethoxycarbonylamino)-4-oxobut-2-enoyl]amino]acetate
CID 5358578
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
(dimethylamino)methyl (E)-3-(furan-3-yl)prop-2-enoate
CID 122223998
ethyl 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate
CID 47437704

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate?
The IUPAC name of ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate (CID 2246384) is ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate is CCOC(=O)CNC(=O)/C=C/c1ccoc1.
What is the InChIKey of ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate?
The InChIKey is JMVVDNVBKUAIPX-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H13NO4/c1-2-16-11(14)7-12-10(13)4-3-9-5-6-15-8-9/h3-6,8H,2,7H2,1H3,(H,12,13)/b4-3+.
What are the key properties of ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate?
ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate has a molecular weight of 223.23 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]acetate is sourced from PubChem (CID 2246384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).