3-(cyclohexylcarbamoyl)prop-2-enoic acid - CAS 113467-97-3
Catalog: |
BB003186 |
Product Name: |
3-(cyclohexylcarbamoyl)prop-2-enoic acid |
CAS: |
113467-97-3 |
Synonyms: |
4-(cyclohexylamino)-4-oxo-2-butenoic acid; 4-(cyclohexylamino)-4-oxobut-2-enoic acid |
IUPAC Name: | 4-(cyclohexylamino)-4-oxobut-2-enoic acid |
Description: | 3-(cyclohexylcarbamoyl)prop-2-enoic acid (CAS# 113467-97-3) is a useful research chemical. |
Molecular Weight: | 197.234 |
Molecular Formula: | C10H15NO3 |
Canonical SMILES: | C1CCC(CC1)NC(=O)C=CC(=O)O |
InChI: | InChI=1S/C10H15NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12)(H,13,14) |
InChI Key: | DEWAGGNAHQGYBD-UHFFFAOYSA-N |
LogP: | 1.91640 |
Publication Number | Title | Priority Date |
EP-1625130-A2 | Hiv integrase inhibitors | 20030428 |
US-2006211724-A1 | Hiv integrase inhibitors | 20030428 |
WO-2004096807-A2 | Hiv integrase inhibitors | 20030428 |
US-6314225-B1 | Halogen and perhalo-organo substituted N-phenyl (or biphenyl) maleimide | 19991123 |
EP-1155076-A1 | In situ preparation of a bis-(benzothiazolesulfen)amide in a polymeric matrix | 19990112 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.10519334 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 1.1 |
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