| CAS Number | 59481-43-5 |
| Catalog Number | AG01AAML(AGN-PC-0KURLC) |
| Chemical Name | 4-[(propan-2-yl)carbamoyl]butanoic acid |
| IUPAC Name | 5-oxo-5-(propan-2-ylamino)pentanoic acid |
| InChI | InChI=1S/C8H15NO3/c1-6(2)9-7(10)4-3-5-8(11)12/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12) |
| InChI Key | CLFRIXJGHWEGNO-UHFFFAOYSA-N |
| MDL Number | MFCD03367185 |
| Molecular Formula | C8H15NO3 |
| Molecular Weight | 173.2096 |
| SMILES | CC(NC(CCCC(O)=O)=O)C |
| Synonyms | 4-[(propan-2-yl)carbamoyl]butanoic acid,
59481-43-5,
5-oxo-5-(propan-2-ylamino)pentanoic acid,
AC1MQY1L,
AC1Q1Q70,
SCHEMBL8238806,
4-isopropylcarbamoyl-butyric acid,
CLFRIXJGHWEGNO-UHFFFAOYSA-N,
ZINC5909791,
STK897893,
AKOS003871623,
MCULE-2900472650,
NE36245,
FT-0702807,
EN300-69019,
Pentanoic acid, 5-[(1-methylethyl)amino]-5-oxo-,
Z90423232,
4-(propan-2-ylcarbamoyl)butanoic Acid,
CID3459394,
5-(isopropylamino)-5-oxopentanoic acid,
|
| Complexity | 166 |
| 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 | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number