3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid

C11H11NO4 — CID 170337484

IUPAC3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid
SMILESC=C(CC(=O)O)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C11H11NO4/c1-7(5-10(14)15)11(16)12-8-3-2-4-9(13)6-8/h2-4,6,13H,1,5H2,(H,12,16)(H,14,15)
InChIKeyWHMPLCLBOXLQBB-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.36
Rot. Bonds4

About 3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid

3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid (PubChem CID 170337484) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid
PubChem CID170337484
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid
SMILESC=C(CC(=O)O)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C11H11NO4/c1-7(5-10(14)15)11(16)12-8-3-2-4-9(13)6-8/h2-4,6,13H,1,5H2,(H,12,16)(H,14,15)
InChIKeyWHMPLCLBOXLQBB-UHFFFAOYSA-N
XLogP1.36
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
CID 45000278
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
3-(prop-1-en-2-ylamino)phenol
CID 143950523
3-[(4-chlorophenyl)carbamoyl]but-3-enoic acid
CID 71372890
N,N'-bis(3-hydroxyphenyl)but-2-enediamide
CID 754651
N'-(2,5-dimethylphenyl)-N-(3-hydroxyphenyl)oxamide
CID 45000850
N-(3-hydroxyphenyl)-N'-(2,3,5,6-tetrachlorophenyl)oxamide
CID 10250012
4-methyl-2-methylidene-N-phenylpent-4-enamide
CID 53236011
1-amino-3-(3-hydroxyphenyl)urea
CID 23273555
3-(naphthalen-1-ylcarbamoyl)but-3-enoic acid
CID 139970966
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)acetamide
CID 28878488
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid?
The IUPAC name of 3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid (CID 170337484) is 3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid.
What is the SMILES notation for 3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid?
The canonical SMILES for 3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid is C=C(CC(=O)O)C(=O)Nc1cccc(O)c1.
What is the InChIKey of 3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid?
The InChIKey is WHMPLCLBOXLQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-7(5-10(14)15)11(16)12-8-3-2-4-9(13)6-8/h2-4,6,13H,1,5H2,(H,12,16)(H,14,15).
What are the key properties of 3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid?
3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid has a molecular weight of 221.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid is sourced from PubChem (CID 170337484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).