(Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid

C12H13NO3 — CID 14280418

IUPAC(Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid
SMILESCC(=O)N/C(=C(/C)C(=O)O)c1ccccc1
InChIInChI=1S/C12H13NO3/c1-8(12(15)16)11(13-9(2)14)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14)(H,15,16)/b11-8-
InChIKeyDFZPPJMOXBEXAB-FLIBITNWSA-N
MW219.24 g/mol
LogP1.64
Rot. Bonds3

About (Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid

(Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid (PubChem CID 14280418) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid
PubChem CID14280418
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid
SMILESCC(=O)N/C(=C(/C)C(=O)O)c1ccccc1
InChIInChI=1S/C12H13NO3/c1-8(12(15)16)11(13-9(2)14)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14)(H,15,16)/b11-8-
InChIKeyDFZPPJMOXBEXAB-FLIBITNWSA-N
XLogP1.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetamido-3,3-diphenylprop-2-enoic acid
CID 134870656
ethyl (E)-3-acetamido-2-(4-methylphenyl)-3-phenylprop-2-enoate
CID 42638338
(Z)-2-methyl-3-phenylbut-2-enedioic acid
CID 66610285
2-methyl-3-phenylbut-2-enedioic acid
CID 54439323
3-methoxy-2-methyl-3-phenylprop-2-enoic acid
CID 57324055
N-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide
CID 5004684
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
methane;molecular hydrogen;N-(1-phenylethenyl)acetamide
CID 159750182
N-[(E)-1,2-diphenylethenyl]acetamide
CID 42628257
2-amino-3-methyl-4-oxo-4-phenylbut-2-enoic acid
CID 173202167
2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid
CID 5247195
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438

Frequently Asked Questions

What is the IUPAC name of (Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid?
The IUPAC name of (Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid (CID 14280418) is (Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid is CC(=O)N/C(=C(/C)C(=O)O)c1ccccc1.
What is the InChIKey of (Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid?
The InChIKey is DFZPPJMOXBEXAB-FLIBITNWSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(12(15)16)11(13-9(2)14)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14)(H,15,16)/b11-8-.
What are the key properties of (Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid?
(Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid is sourced from PubChem (CID 14280418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).