| CAS Number | 133115-37-4 |
| Catalog Number | AG019MPP(AGN-PC-0039YY) |
| Chemical Name | 2-{[(3-Methylphenyl)carbamoyl]amino}acetic acid |
| IUPAC Name | 2-[(3-methylphenyl)carbamoylamino]acetic acid |
| InChI | InChI=1S/C10H12N2O3/c1-7-3-2-4-8(5-7)12-10(15)11-6-9(13)14/h2-5H,6H2,1H3,(H,13,14)(H2,11,12,15) |
| InChI Key | VZOMJJJMNAGVRE-UHFFFAOYSA-N |
| MDL Number | MFCD08444862 |
| Molecular Formula | C10H12N2O3 |
| Molecular Weight | 208.2139 |
| SMILES | CC1=CC(NC(NCC(O)=O)=O)=CC=C1 |
| Synonyms | 2-{[(3-methylphenyl)carbamoyl]amino}acetic acid,
133115-37-4,
([[(3-Methylphenyl)amino]carbonyl]amino)acetic acid,
({[(3-methylphenyl)amino]carbonyl}amino)acetic acid,
2-[3-(3-methylphenyl)ureido]acetic acid,
AC1Q2J2O,
SCHEMBL7320938,
2-(3-m-tolylureido)acetic acid,
CTK7G6817,
VZOMJJJMNAGVRE-UHFFFAOYSA-N,
ZINC19978268,
AKOS000128398,
2-[(3-methylphenyl)ureido]acetic acid,
MCULE-9443777579,
NE41280,
2-[3-(3-methylphenyl)-ureido]acetic acid,
EN300-36892,
Z228588698,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.217g/mol |
| Monoisotopic Mass | 208.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number