(Z)-Methyl 2-acetamido-3-phenylacrylate

C12H13NO3 — CID 9964506

IUPACmethyl (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OC
InChIInChI=1S/C12H13NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14)/b11-8-
InChIKeyUSKHBABPFFAKJD-FLIBITNWSA-N
MW219.24 g/mol
LogP1.60
Rot. Bonds4

About (Z)-Methyl 2-acetamido-3-phenylacrylate

(Z)-Methyl 2-acetamido-3-phenylacrylate (PubChem CID 9964506) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(Z)-Methyl 2-acetamido-3-phenylacrylate
PubChem CID9964506
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OC
InChIInChI=1S/C12H13NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14)/b11-8-
InChIKeyUSKHBABPFFAKJD-FLIBITNWSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity291

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.60
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

1-Acetamidocinnamic acid
CID 699640
2-Acetamido-3-phenylprop-2-enoic acid
CID 5370579
[(E)-3-phenylprop-2-enyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7555151
(Z)-2-amino-3-phenylpropenoic acid methyl ester
CID 10773647
Isopropyl 2-(acetylamino)-3-(4-fluorophenyl)acrylate
CID 2282505
[2-(tert-butylamino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2417155
Ethyl 2-(acetylamino)-3-(4-fluorophenyl)acrylate
CID 2282510
2-Propenoic acid, 2-(acetylamino)-3-phenyl-, phenylmethyl ester, (2Z)-
CID 7284810
alpha-Acetylamino-4-fluorocinnamic acid methyl ester
CID 5730407
2-(Acetylamino)-3-phenyl-2-propenoic acid
CID 95631
Glycyldehydrophenylalanine
CID 5021630
Glycyldehydrophenylalanine zwitterion
CID 78568050

Frequently Asked Questions

What is the IUPAC name of (Z)-Methyl 2-acetamido-3-phenylacrylate?
The IUPAC name of (Z)-Methyl 2-acetamido-3-phenylacrylate (CID 9964506) is methyl (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for (Z)-Methyl 2-acetamido-3-phenylacrylate?
The canonical SMILES for (Z)-Methyl 2-acetamido-3-phenylacrylate is CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OC.
What is the InChIKey of (Z)-Methyl 2-acetamido-3-phenylacrylate?
The InChIKey is USKHBABPFFAKJD-FLIBITNWSA-N. The full InChI is InChI=1S/C12H13NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14)/b11-8-.
What are the key properties of (Z)-Methyl 2-acetamido-3-phenylacrylate?
(Z)-Methyl 2-acetamido-3-phenylacrylate has a molecular weight of 219.24 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-Methyl 2-acetamido-3-phenylacrylate is sourced from PubChem (CID 9964506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).