| CAS Number | 117919-56-9 |
| Catalog Number | AG00776H(AGN-PC-0NZFEM) |
| Chemical Name | 2-[(Methoxycarbonyl)amino]-4-methylpentanoic acid |
| IUPAC Name | 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) |
| InChI Key | NPRGOLCTGVFFGS-UHFFFAOYSA-N |
| MDL Number | MFCD11128984 |
| Molecular Formula | C8H15NO4 |
| Molecular Weight | 189.2090 |
| SMILES | COC(NC(C(O)=O)CC(C)C)=O |
| Synonyms | 2-[(methoxycarbonyl)amino]-4-methylpentanoic acid,
117919-56-9,
ACMC-20mnhy,
(2S)-2-[(methoxycarbonyl)amino]-4-methylpentanoic acid,
SCHEMBL628967,
AC1Q44C9,
CTK6J2893,
AKOS000204186,
AKOS016905290,
MCULE-2938160040,
NE27175,
EN300-55409,
2-(methoxycarbonylamino)-4-methylpentanoic acid,
Leucine, N-(methoxycarbonyl)-,
74761-37-8,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number