4-(ethenylcarbamoylamino)benzoic acid

C10H10N2O3 — CID 76851362

IUPAC4-(ethenylcarbamoylamino)benzoic acid
SMILESC=CNC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H10N2O3/c1-2-11-10(15)12-8-5-3-7(4-6-8)9(13)14/h2-6H,1H2,(H,13,14)(H2,11,12,15)
InChIKeyDGZOWQBLEXIZBQ-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.65
Rot. Bonds3

About 4-(ethenylcarbamoylamino)benzoic acid

4-(ethenylcarbamoylamino)benzoic acid (PubChem CID 76851362) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-(ethenylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name4-(ethenylcarbamoylamino)benzoic acid
PubChem CID76851362
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name4-(ethenylcarbamoylamino)benzoic acid
SMILESC=CNC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H10N2O3/c1-2-11-10(15)12-8-5-3-7(4-6-8)9(13)14/h2-6H,1H2,(H,13,14)(H2,11,12,15)
InChIKeyDGZOWQBLEXIZBQ-UHFFFAOYSA-N
XLogP1.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-ethenylurea
CID 108909138
1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea
CID 108909328
1-[4-(dimethylamino)phenyl]-3-ethenylurea
CID 108909228
4-(pent-4-en-2-ylcarbamoylamino)benzoic acid
CID 113466795
1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911352
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
4-[[4-(carboxymethyl)phenyl]carbamoylamino]benzoic acid
CID 127562090
bis(prop-1-ene);terephthalic acid
CID 159254525
4-(2-methylsulfinylethylcarbamoylamino)benzoic acid
CID 113480280
1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911457
ethene;terephthalic acid
CID 18755810
4-(4-acetamidoanilino)benzoic acid
CID 11425691

Frequently Asked Questions

What is the IUPAC name of 4-(ethenylcarbamoylamino)benzoic acid?
The IUPAC name of 4-(ethenylcarbamoylamino)benzoic acid (CID 76851362) is 4-(ethenylcarbamoylamino)benzoic acid.
What is the SMILES notation for 4-(ethenylcarbamoylamino)benzoic acid?
The canonical SMILES for 4-(ethenylcarbamoylamino)benzoic acid is C=CNC(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(ethenylcarbamoylamino)benzoic acid?
The InChIKey is DGZOWQBLEXIZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-11-10(15)12-8-5-3-7(4-6-8)9(13)14/h2-6H,1H2,(H,13,14)(H2,11,12,15).
What are the key properties of 4-(ethenylcarbamoylamino)benzoic acid?
4-(ethenylcarbamoylamino)benzoic acid has a molecular weight of 206.20 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethenylcarbamoylamino)benzoic acid is sourced from PubChem (CID 76851362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).