(Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid

C13H15NO5 — CID 82254507

IUPAC(Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(OC)c(/C=C(\NC(C)=O)C(=O)O)c1
InChIInChI=1S/C13H15NO5/c1-8(15)14-11(13(16)17)7-9-6-10(18-2)4-5-12(9)19-3/h4-7H,1-3H3,(H,14,15)(H,16,17)/b11-7-
InChIKeyRHXCOLHKJISQHF-XFFZJAGNSA-N
MW265.26 g/mol
LogP1.27
Rot. Bonds5

About (Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid

(Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid (PubChem CID 82254507) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is (Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid
PubChem CID82254507
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(OC)c(/C=C(\NC(C)=O)C(=O)O)c1
InChIInChI=1S/C13H15NO5/c1-8(15)14-11(13(16)17)7-9-6-10(18-2)4-5-12(9)19-3/h4-7H,1-3H3,(H,14,15)(H,16,17)/b11-7-
InChIKeyRHXCOLHKJISQHF-XFFZJAGNSA-N
XLogP1.27
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
CID 2740034
(Z)-3-(2,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83956182
ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate
CID 10955965
(Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 54848084
6-(2,5-dimethoxyphenyl)-4-oxohexa-2,5-dienoic acid
CID 54025408
2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 4768018
N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide
CID 170488942
3-(2,5-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enoic acid
CID 145381862
2-acetamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 171137645
2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide
CID 2436196
3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638
(Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid
CID 54846652

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid (CID 82254507) is (Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid is COc1ccc(OC)c(/C=C(\NC(C)=O)C(=O)O)c1.
What is the InChIKey of (Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid?
The InChIKey is RHXCOLHKJISQHF-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H15NO5/c1-8(15)14-11(13(16)17)7-9-6-10(18-2)4-5-12(9)19-3/h4-7H,1-3H3,(H,14,15)(H,16,17)/b11-7-.
What are the key properties of (Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid?
(Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid has a molecular weight of 265.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 82254507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).