| CAS Number | 544655-57-4 |
| Catalog Number | AG01AANE |
| Chemical Name | 4-(propylcarbamoyl)butanoic Acid |
| IUPAC Name | 5-oxo-5-(propylamino)pentanoic acid |
| InChI | InChI=1S/C8H15NO3/c1-2-6-9-7(10)4-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12) |
| InChI Key | PPXIZOJZOSPHLC-UHFFFAOYSA-N |
| MDL Number | MFCD03380632 |
| Molecular Formula | C8H15NO3 |
| Molecular Weight | 173.2096 |
| SMILES | CCCNC(CCCC(O)=O)=O |
| Synonyms | 4-(propylcarbamoyl)butanoic Acid,
544655-57-4,
5-oxo-5-(propylamino)pentanoic acid,
AC1NOC9E,
4-propylcarbamoyl-butyric acid,
AC1Q2Y11,
SCHEMBL8816533,
PPXIZOJZOSPHLC-UHFFFAOYSA-N,
4-(N-propylcarbamoyl)butanoic acid,
ZINC4681692,
STK138024,
AKOS003869015,
MCULE-5121990390,
NE32710,
Pentanoic acid, 5-oxo-5-(propylamino)-,
ST45160464,
EN300-69074,
CID5135850,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.212g/mol |
| Monoisotopic Mass | 173.105g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number