| CAS Number | 25528-51-2 |
| Catalog Number | AG00I4V7(AGN-PC-0O8B5D) |
| Chemical Name | (S)-Methyl 6-acetamido-2-aminohexanoate |
| IUPAC Name | methyl (2S)-6-acetamido-2-aminohexanoate |
| InChI | InChI=1S/C9H18N2O3/c1-7(12)11-6-4-3-5-8(10)9(13)14-2/h8H,3-6,10H2,1-2H3,(H,11,12)/t8-/m0/s1 |
| InChI Key | LBWVJLOFFADXBF-QMMMGPOBSA-N |
| MDL Number | MFCD22393662 |
| Molecular Formula | C9H18N2O3 |
| Molecular Weight | 202.2508 |
| SMILES | COC([C@H](CCCCNC(C)=O)N)=O |
| Synonyms | (S)-methyl 6-acetamido-2-aminohexanoate,
25528-51-2,
SCHEMBL593995,
LBWVJLOFFADXBF-QMMMGPOBSA-N,
MFCD22393662,
ZINC95627634,
L-Lysine, N6-acetyl-, methyl ester,
Nepsilon-acetyl-L-lysine methyl ester,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.254g/mol |
| Monoisotopic Mass | 202.132g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number