| CAS Number | 1396968-87-8 |
| Catalog Number | AG019JAO |
| Chemical Name | 2-[(2-methoxyphenyl)formamido]-3-methylbutanoic acid |
| IUPAC Name | 2-[(2-methoxybenzoyl)amino]-3-methylbutanoic acid |
| InChI | InChI=1S/C13H17NO4/c1-8(2)11(13(16)17)14-12(15)9-6-4-5-7-10(9)18-3/h4-8,11H,1-3H3,(H,14,15)(H,16,17) |
| InChI Key | YQZIPACKUSZTAF-UHFFFAOYSA-N |
| MDL Number | MFCD02209498 |
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.2784 |
| SMILES | COC1=C(C(NC(C(O)=O)C(C)C)=O)C=CC=C1 |
| Synonyms | 2-[(2-methoxyphenyl)formamido]-3-methylbutanoic acid,
2-[(2-methoxybenzoyl)amino]-3-methylbutanoic acid,
1396968-87-8,
(2S)-2-[(2-METHOXYPHENYL)FORMAMIDO]-3-METHYLBUTANOIC ACID,
471259-95-7,
AC1MQG2J,
Oprea1_154119,
AC1Q44Z8,
SCHEMBL9830652,
CTK7B0530,
AKOS000264281,
AKOS016874412,
MCULE-9277558038,
NE35494,
EN300-08993,
CID3501228,
2-[(2-methoxybenzoyl)amino]-3-methyl-butanoic Acid,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.282g/mol |
| Monoisotopic Mass | 251.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number