| CAS Number | 953061-74-0 |
| Catalog Number | AG00IIZB(AGN-PC-0WBOFD) |
| Chemical Name | 3-(1-(Tert-butoxycarbonyl)-1H-benzo[D]imidazol-2-YL)propanoic acid |
| IUPAC Name | 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzimidazol-2-yl]propanoic acid |
| InChI | InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-11-7-5-4-6-10(11)16-12(17)8-9-13(18)19/h4-7H,8-9H2,1-3H3,(H,18,19) |
| InChI Key | VOYMPBDPJJFREO-UHFFFAOYSA-N |
| MDL Number | MFCD11040518 |
| Molecular Formula | C15H18N2O4 |
| Molecular Weight | 290.3144 |
| SMILES | CC(C)(C)OC(=O)N1C(CCC(O)=O)=NC2=CC=CC=C12 |
| Synonyms | 953061-74-0,
3-(1-(TERT-BUTOXYCARBONYL)-1H-BENZO[D]IMIDAZOL-2-YL)PROPANOIC ACID,
3-(1-BOC-1H-BENZO[D]IMIDAZOL-2-YL)PROPANOIC ACID,
SCHEMBL10197702,
CTK7J3131,
DTXSID60672843,
5126AH,
AR3272,
MFCD11040518,
ZINC35287551,
AKOS025404283,
AS-45566,
AB0086957,
3-[1-(tert-Butoxycarbonyl)-1H-benzimidazol-2-yl]propanoic acid,
C15H18N2O4,
|
| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.319g/mol |
| Monoisotopic Mass | 290.127g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number