| CAS Number | 74761-37-8 |
| Catalog Number | AG01C1AS |
| Chemical Name | (2S)-2-[(methoxycarbonyl)amino]-4-methylpentanoic acid |
| IUPAC Name | (2S)-2-(methoxycarbonylamino)-4-methylpentanoic acid |
| InChI | InChI=1S/C8H15NO4/c1-5(2)4-6(7(10)11)9-8(12)13-3/h5-6H,4H2,1-3H3,(H,9,12)(H,10,11)/t6-/m0/s1 |
| InChI Key | NPRGOLCTGVFFGS-LURJTMIESA-N |
| MDL Number | MFCD12795518 |
| Molecular Formula | C8H15NO4 |
| Molecular Weight | 189.2090 |
| SMILES | COC(N[C@H](C(O)=O)CC(C)C)=O |
| UNII | 5876W7XGGM |
| Synonyms | L-Leucine, N-(methoxycarbonyl)-,
UNII-5876W7XGGM,
5876W7XGGM,
Leucine, N-(methoxycarbonyl)-,
74761-37-8,
(S)-2-(methoxycarbonylamino)-4-methylpentanoic acid,
N-Carbomethoxy-L-leucine,
N-Methoxycarbonyl-Leu-OH,
(2S)-2-[(methoxycarbonyl)amino]-4-methylpentanoic acid,
SCHEMBL628966,
CTK0G0060,
NPRGOLCTGVFFGS-LURJTMIESA-N,
ZINC19815854,
L-Leucine, N-carboxy-, N-methyl ester,
(S)-N-(Methoxycarbonyl)-2-isobutylglycine,
117919-56-9,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.211g/mol |
| Monoisotopic Mass | 189.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number