| CAS Number | 270263-06-4 |
| Catalog Number | AG00BCVG(AGN-PC-0O8H23) |
| Chemical Name | (S)-3-((Tert-Butoxycarbonyl)Amino)-4-(Furan-2-Yl)Butanoic Acid |
| IUPAC Name | (3S)-4-(furan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid |
| InChI | InChI=1S/C13H19NO5/c1-13(2,3)19-12(17)14-9(8-11(15)16)7-10-5-4-6-18-10/h4-6,9H,7-8H2,1-3H3,(H,14,17)(H,15,16)/t9-/m0/s1 |
| InChI Key | WFTLLVUGUYBNDJ-VIFPVBQESA-N |
| MDL Number | MFCD01861090 |
| Molecular Formula | C13H19NO5 |
| Molecular Weight | 269.2937 |
| SMILES | C(C)(C)(C)OC(=O)N[C@H](CC(=O)O)CC=1OC=CC1 |
| Synonyms | Boc-(S)-3-Amino-4-(2-furyl)-butyric acid,
270263-06-4,
(S)-3-((tert-butoxycarbonyl)amino)-4-(furan-2-yl)butanoic acid,
AC1MC5JG,
(3S)-4-(furan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid,
ZINC2575676,
MFCD01861090,
AKOS015948754,
ACM270263064,
CC-24883,
PS-12332,
TR-012197,
FT-0644312,
C-16907,
(S)-3-(tert-butoxycarbonylamino)-4-(furan-2-yl)butanoic acid,
(3S)-3-[(tert-butoxycarbonyl)amino]-4-(furan-2-yl)butanoic acid,
Boc-(2-furyl)-L-beta-homoalanine,
CID2761694,
Boc-(S)-3-amino-4-(2-furyl)butanoic acid,
(3R)-4-(2-furyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid,
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| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.297g/mol |
| Monoisotopic Mass | 269.126g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 88.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number