(2-amino-2-oxoethyl) (E)-3-(4-fluorophenyl)prop-2-enoate

C11H10FNO3 — CID 2552632

IUPAC(2-amino-2-oxoethyl) (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESNC(=O)COC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C11H10FNO3/c12-9-4-1-8(2-5-9)3-6-11(15)16-7-10(13)14/h1-6H,7H2,(H2,13,14)/b6-3+
InChIKeyHZYSYJGBYQWYAA-ZZXKWVIFSA-N
MW223.20 g/mol
LogP0.87
Rot. Bonds4

About (2-amino-2-oxoethyl) (E)-3-(4-fluorophenyl)prop-2-enoate

(2-amino-2-oxoethyl) (E)-3-(4-fluorophenyl)prop-2-enoate (PubChem CID 2552632) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) (E)-3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) (E)-3-(4-fluorophenyl)prop-2-enoate
PubChem CID2552632
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name(2-amino-2-oxoethyl) (E)-3-(4-fluorophenyl)prop-2-enoate
SMILESNC(=O)COC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C11H10FNO3/c12-9-4-1-8(2-5-9)3-6-11(15)16-7-10(13)14/h1-6H,7H2,(H2,13,14)/b6-3+
InChIKeyHZYSYJGBYQWYAA-ZZXKWVIFSA-N
XLogP0.87
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2097084
[2-(methylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2413375
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2415397
[2-oxo-2-(propylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2413673
[2-(tert-butylamino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2417155
[2-(methylamino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2425220
[2-oxo-2-(propan-2-ylamino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2425294
(2-amino-2-oxoethyl) (E)-3-(3-bromophenyl)prop-2-enoate
CID 2494561
Ethyl 2-(acetylamino)-3-(4-fluorophenyl)acrylate
CID 2282510
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2099423
[2-(ethylamino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2407404
(2-amino-2-oxoethyl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2086638

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) (E)-3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of (2-amino-2-oxoethyl) (E)-3-(4-fluorophenyl)prop-2-enoate (CID 2552632) is (2-amino-2-oxoethyl) (E)-3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for (2-amino-2-oxoethyl) (E)-3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for (2-amino-2-oxoethyl) (E)-3-(4-fluorophenyl)prop-2-enoate is NC(=O)COC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) (E)-3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is HZYSYJGBYQWYAA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-9-4-1-8(2-5-9)3-6-11(15)16-7-10(13)14/h1-6H,7H2,(H2,13,14)/b6-3+.
What are the key properties of (2-amino-2-oxoethyl) (E)-3-(4-fluorophenyl)prop-2-enoate?
(2-amino-2-oxoethyl) (E)-3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 223.20 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) (E)-3-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 2552632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).