| CAS Number | 198419-90-8 |
| Catalog Number | AG00ATDV(AGN-PC-0QPVM8) |
| Chemical Name | (+/-)-LY367385 |
| IUPAC Name | 4-[amino(carboxy)methyl]-3-methylbenzoic acid |
| InChI | InChI=1S/C10H11NO4/c1-5-4-6(9(12)13)2-3-7(5)8(11)10(14)15/h2-4,8H,11H2,1H3,(H,12,13)(H,14,15) |
| InChI Key | SGIKDIUCJAUSRD-UHFFFAOYSA-N |
| MDL Number | MFCD10565942 |
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.1986 |
| SMILES | OC(C(C1=C(C=C(C=C1)C(O)=O)C)N)=O |
| Synonyms | CHEMBL315591,
AC1N03YI,
SCHEMBL1078997,
SGIKDIUCJAUSRD-UHFFFAOYSA-N,
BDBM50089896,
2-(4-Carboxy-2-methylphenyl)glycine,
198419-90-8,
Racemic 2-(4-carboxy-2-methylphenyl)glycine,
4-(Amino-carboxy-methyl)-3-methyl-benzoic acid,
alpha-amino-4-carboxy-2-methylbenzeneacetic acid,
(+/-)-LY 367385,
L000369,
4-(1-amino-2-hydroxy-2-oxoethyl)-3-methylbenzoic acid,
4-(Amino-carboxy-methyl)-3-methyl-benzoic acid((+)-4C2MPG),
LY367385,
CID3931705,
LY 367385,
4-[amino(carboxy)methyl]-3-methylbenzoic acid,
198419-91-9,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.201g/mol |
| Monoisotopic Mass | 209.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number