| CAS Number | 1249372-40-4 |
| Catalog Number | AG009FMF(AGN-PC-0WAGD1) |
| Chemical Name | Boc-4-amino-4-methyl-pentanoic acid |
| IUPAC Name | 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid |
| InChI | InChI=1S/C11H21NO4/c1-10(2,3)16-9(15)12-11(4,5)7-6-8(13)14/h6-7H2,1-5H3,(H,12,15)(H,13,14) |
| InChI Key | NFMLOTGNJNBRPQ-UHFFFAOYSA-N |
| MDL Number | MFCD16169124 |
| Molecular Formula | C11H21NO4 |
| Molecular Weight | 231.2887 |
| SMILES | CC(C)(NC(OC(C)(C)C)=O)CCC(O)=O |
| Synonyms | 1249372-40-4,
Boc-4-amino-4-methyl-pentanoic acid,
4-{[(tert-butoxy)carbonyl]amino}-4-methylpentanoic acid,
4-([(tert-Butoxy)carbonyl]amino)-4-methylpentanoic acid,
4-tert-Butoxycarbonylamino-4-methyl-pentanoic acid,
5398AH,
MFCD16169124,
ZINC44831645,
AKOS008150073,
MCULE-2762557588,
NE61658,
EN300-75821,
A1-03699,
J-005182,
F8887-2907,
4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid,
C11H21NO4,
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| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.292g/mol |
| Monoisotopic Mass | 231.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number