| CAS Number | 1309668-80-1 |
| Catalog Number | AG00HSAV(AGN-PC-0WR0GM) |
| Chemical Name | Boc-Ala(beta-cyclobutyl)-OH dipa |
| IUPAC Name | (2S)-3-cyclobutyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;N-propan-2-ylpropan-2-amine |
| InChI | InChI=1S/C12H21NO4.C6H15N/c1-12(2,3)17-11(16)13-9(10(14)15)7-8-5-4-6-8;1-5(2)7-6(3)4/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15);5-7H,1-4H3/t9-;/m0./s1 |
| InChI Key | LNIYTTOTYXWUAO-FVGYRXGTSA-N |
| MDL Number | MFCD19707043 |
| Molecular Formula | C18H36N2O4 |
| Molecular Weight | 344.4894 |
| SMILES | CC(C)NC(C)C.CC(C)(C)OC(=O)N[C@@H](CC1CCC1)C(O)=O |
| Synonyms | BOC-ALA(BETA-CYCLOBUTYL)-OH DIPA,
1309668-80-1,
Boc-Ala(cButyl)-OH yenDIPA,
SCHEMBL9099942,
C12H21NO4.C6H15N,
LNIYTTOTYXWUAO-FVGYRXGTSA-N,
6259AH,
K-9139,
Boc-beta-Cyclobutyl-L-alanine diisopropylamine salt@CRLF1309668-80-1,
3-cyclobutyl-N-{[(1,1-dimethylethyl)oxy]carbonyl}-L-alanine N,N-diisopropylamine,
N-alpha-(t-Butoxycarbonyl)-beta-cyclobutyl-L-alanine diisopropylammonium salt,
478183-60-7,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.267508g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.5g/mol |
| Monoisotopic Mass | 344.267508g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 87.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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