3-(2-acetamidophenyl)prop-2-enoic acid

C11H11NO3 — CID 53423741

IUPAC3-(2-acetamidophenyl)prop-2-enoic acid
SMILESCC(=O)Nc1ccccc1C=CC(=O)O
InChIInChI=1S/C11H11NO3/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKeyANVZQEASRUZEQM-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.74
Rot. Bonds3

About 3-(2-acetamidophenyl)prop-2-enoic acid

3-(2-acetamidophenyl)prop-2-enoic acid (PubChem CID 53423741) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(2-acetamidophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(2-acetamidophenyl)prop-2-enoic acid
PubChem CID53423741
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-(2-acetamidophenyl)prop-2-enoic acid
SMILESCC(=O)Nc1ccccc1C=CC(=O)O
InChIInChI=1S/C11H11NO3/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKeyANVZQEASRUZEQM-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(E)-3-oxobut-1-enyl]phenyl]acetamide
CID 10878239
ethane;(E)-3-[2-(hydroxyamino)phenyl]prop-2-enoic acid
CID 142952624
(E)-3-[2-(propan-2-ylamino)phenyl]prop-2-enoic acid
CID 143212299
(E)-but-2-enedioic acid;N-(2-hydroxyphenyl)acetamide
CID 175230643
(E)-3-(2-acetamido-4-methoxyphenyl)prop-2-enoic acid
CID 67215978
ethane;N-(2-formylphenyl)acetamide
CID 142055624
N-[2-[2-[2-[(2-acetamidophenyl)diazenyl]phenyl]ethenyl]phenyl]acetamide
CID 633952
3-[2-(propan-2-ylsulfonylamino)phenyl]prop-2-enoic acid
CID 68792993
(Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid
CID 175439123
3-[2-(benzenesulfonamido)phenyl]prop-2-enoic acid
CID 70280220
3-(2-acetylphenyl)prop-2-enoic acid;hydrochloride
CID 174578374
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamidophenyl)prop-2-enoic acid?
The IUPAC name of 3-(2-acetamidophenyl)prop-2-enoic acid (CID 53423741) is 3-(2-acetamidophenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(2-acetamidophenyl)prop-2-enoic acid?
The canonical SMILES for 3-(2-acetamidophenyl)prop-2-enoic acid is CC(=O)Nc1ccccc1C=CC(=O)O.
What is the InChIKey of 3-(2-acetamidophenyl)prop-2-enoic acid?
The InChIKey is ANVZQEASRUZEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-8(13)12-10-5-3-2-4-9(10)6-7-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-(2-acetamidophenyl)prop-2-enoic acid?
3-(2-acetamidophenyl)prop-2-enoic acid has a molecular weight of 205.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamidophenyl)prop-2-enoic acid is sourced from PubChem (CID 53423741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).