| CAS Number | 109007-59-2 |
| Catalog Number | AG009LPR(AGN-PC-0OZ2YX) |
| Chemical Name | 2-((tert-Butoxycarbonyl)amino)-3-(thiophen-3-yl)propanoic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-ylpropanoic acid |
| InChI | InChI=1S/C12H17NO4S/c1-12(2,3)17-11(16)13-9(10(14)15)6-8-4-5-18-7-8/h4-5,7,9H,6H2,1-3H3,(H,13,16)(H,14,15) |
| InChI Key | SIQSLARNSCAXSF-UHFFFAOYSA-N |
| MDL Number | MFCD09264320 |
| Molecular Formula | C12H17NO4S |
| Molecular Weight | 271.3327 |
| SMILES | C(C)(C)(C)OC(=O)NC(C(=O)O)CC1=CSC=C1 |
| Synonyms | 109007-59-2,
2-(tert-butoxycarbonylamino)-3-(thiophen-3-yl)propanoic acid,
SIQSLARNSCAXSF-UHFFFAOYSA-N,
AC1NAISC,
SCHEMBL3811243,
BOC-DL-3-THIENYLALANINE,
Boc-3-(3-thienyl)-dl-alanine,
AKOS013465728,
DA-15730,
FT-0713342,
I09-0296,
I09-0382,
N-(tert-butoxycarbonyl)-3-(3-thienyl)-DL-alanine,
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-ylpropanoic acid,
Dicyclohexylamine?(R)-2-((tert-butoxycarbonyl)amino)-3-(thiophen-3-yl)propanoate,
CID4427602,
(R)-2-((tert-Butoxycarbonyl)amino)-3-(thiophen-3-yl)propanoic acid,
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-yl-propanoic Acid,
226880-86-0,
331730-14-4,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number