| CAS Number | 168077-38-1 |
| Catalog Number | AG01ELV5(AGN-PC-0Q96CO) |
| Chemical Name | 2-(Boc-amino)-4-bromobutyric acid methyl ester |
| IUPAC Name | methyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate |
| InChI | InChI=1S/C10H18BrNO4/c1-10(2,3)16-9(14)12-7(5-6-11)8(13)15-4/h7H,5-6H2,1-4H3,(H,12,14) |
| InChI Key | MBWPBNACYMMIKZ-UHFFFAOYSA-N |
| MDL Number | MFCD18252756 |
| Molecular Formula | C10H18BrNO4 |
| Molecular Weight | 296.1582 |
| SMILES | BrCCC(C(=O)OC)NC(=O)OC(C)(C)C |
| Synonyms | 168077-38-1,
2-(Boc-amino)-4-bromobutyric acid methyl ester,
Methyl 4-bromo-2-(tert-butoxycarbonylamino)butanoate,
AC1OAH8K,
SCHEMBL937622,
MBWPBNACYMMIKZ-UHFFFAOYSA-N,
SY033164,
MFCD18207337 (95%),
4-Bromo-2-tert-butoxycarbonylaminobutyric acid methyl ester,
2-(tert-butoxycarbonylamino)-4-bromobutanoic acid methyl ester,
4-bromo-2-tert-butoxycarbonylamino-butyric acid methyl ester,
methyl 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate,
methyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate,
nchembio804-comp9,
CID6857808,
Methyl (S)-2-(Boc-amino)-4-bromobutyrate,
76969-87-4,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.161g/mol |
| Monoisotopic Mass | 295.042g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number