| CAS Number | 500788-99-8 |
| Catalog Number | AG006W0L(AGN-PC-0OB63L) |
| Chemical Name | Boc-(r)-3-amino-3-(3-thienyl)-propionic acid |
| IUPAC Name | (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-ylpropanoic acid |
| InChI | InChI=1S/C12H17NO4S/c1-12(2,3)17-11(16)13-9(6-10(14)15)8-4-5-18-7-8/h4-5,7,9H,6H2,1-3H3,(H,13,16)(H,14,15)/t9-/m1/s1 |
| InChI Key | ASXVJQPFJWSOQX-SECBINFHSA-N |
| MDL Number | MFCD03427951 |
| Molecular Formula | C12H17NO4S |
| Molecular Weight | 271.3327 |
| SMILES | C(C)(C)(C)OC(=O)N[C@H](CC(=O)O)C1=CSC=C1 |
| Synonyms | Boc-(R)-3-Amino-3-(3-thienyl)-propionic acid,
500788-99-8,
AC1MC5R1,
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-ylpropanoic acid,
ZINC2585846,
6209AH,
MFCD03427951,
AKOS013461544,
ACM500788998,
AJ-43607,
BBV-38259570,
PS-12500,
TL80073940,
Boc-R-3-Amino-3-(3-thienyl)-propionic acid,
K-9278,
C12H17NO4S,
CID2761789,
BOC- -3-AMINO-3- -PROPIONICACID,
(R)-3-((tert-Butoxycarbonyl)amino)-3-(thiophen-3-yl)propanoic acid,
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-yl-propanoic Acid,
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.331g/mol |
| Monoisotopic Mass | 271.088g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number