| CAS Number | 1397001-97-6 |
| Catalog Number | AG019JJX |
| Chemical Name | 2-[(3-Methylphenyl)formamido]propanoic acid |
| IUPAC Name | 2-[(3-methylbenzoyl)amino]propanoic acid |
| InChI | InChI=1S/C11H13NO3/c1-7-4-3-5-9(6-7)10(13)12-8(2)11(14)15/h3-6,8H,1-2H3,(H,12,13)(H,14,15) |
| InChI Key | KPDBSQWRBLPDJF-UHFFFAOYSA-N |
| MDL Number | MFCD00847719 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | CC(C(O)=O)NC(C1=CC(C)=CC=C1)=O |
| Synonyms | 2-[(3-methylphenyl)formamido]propanoic acid,
2-[(3-methylbenzoyl)amino]propanoic Acid,
1397001-97-6,
956505-60-5,
(2S)-2-[(3-methylphenyl)formamido]propanoic acid,
AC1MYP2B,
AC1Q2BGV,
2-(3-methylbenzamido)propanoic acid,
SBB004609,
AKOS000264079,
AKOS016050983,
MCULE-3247642534,
NE23256,
EN300-09638,
2-[(3-methylphenyl)carbonylamino]propanoic acid,
Z56346865,
CID3835305,
(2S)-2-[(3-methylbenzoyl)amino]propanoic acid,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.229g/mol |
| Monoisotopic Mass | 207.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number