| CAS Number | 1217602-18-0 |
| Catalog Number | AG01DMJU |
| Chemical Name | (2S,4S)-2-Amino-4-butylpentanedioic acid |
| IUPAC Name | (2S,4S)-2-amino-4-butylpentanedioic acid |
| InChI | InChI=1S/C9H17NO4/c1-2-3-4-6(8(11)12)5-7(10)9(13)14/h6-7H,2-5,10H2,1H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1 |
| InChI Key | IMGQZBSGZRAKSV-BQBZGAKWSA-N |
| MDL Number | MFCD07784063 |
| Molecular Formula | C9H17NO4 |
| Molecular Weight | 203.2356 |
| SMILES | O=C([C@@H](CCCC)C[C@@H](C(O)=O)N)O |
| Synonyms | (4S)-4-butyl-L-glutamic acid,
14344-45-7,
(2s,4s)-2-amino-4-butylpentanedioic acid,
1217602-18-0,
SCHEMBL2267187,
CTK4C3648,
DTXSID20580536,
MFCD07784063,
ZINC12649087,
AKOS030627486,
AS-37135,
AB0075578,
AX8035686,
DB-016588,
FT-0773274,
(2S,4S)-2-Amino-4-butyl-pentanedioic acid,
X-1437,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.238g/mol |
| Monoisotopic Mass | 203.116g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number