| CAS Number | 1018299-34-7 |
| Catalog Number | AG01AHCW |
| Chemical Name | 2-[(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)amino]acetic acid |
| IUPAC Name | 2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)acetic acid |
| InChI | InChI=1S/C12H14N2O3/c15-11(16)7-13-12(17)14-6-5-9-3-1-2-4-10(9)8-14/h1-4H,5-8H2,(H,13,17)(H,15,16) |
| InChI Key | SDKBFRSMGTTWTQ-UHFFFAOYSA-N |
| MDL Number | MFCD10011461 |
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.2512 |
| SMILES | OC(CNC(N1CC2=C(C=CC=C2)CC1)=O)=O |
| Synonyms | 2-[(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)amino]acetic acid,
1018299-34-7,
ZINC19978165,
AKOS008132475,
MCULE-7324681839,
NE33188,
EN300-74335,
Z1171159726,
2-[(1,2,3,4-tetrahydroisoquinolin-2-yl)carbonylamino]acetic acid,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.255g/mol |
| Monoisotopic Mass | 234.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number