| CAS Number | 98552-90-0 |
| Catalog Number | AG01A9V6 |
| Chemical Name | 2-(4-Methylpentanamido)acetic acid |
| IUPAC Name | 2-(4-methylpentanoylamino)acetic acid |
| InChI | InChI=1S/C8H15NO3/c1-6(2)3-4-7(10)9-5-8(11)12/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12) |
| InChI Key | BQIHXZIDVMRVRP-UHFFFAOYSA-N |
| MDL Number | MFCD11169973 |
| Molecular Formula | C8H15NO3 |
| Molecular Weight | 173.2096 |
| SMILES | CC(CCC(NCC(O)=O)=O)C |
| Synonyms | 2-(4-methylpentanamido)acetic acid,
Isocaproylglycine,
98552-90-0,
AC1Q1PAG,
CHEMBL456396,
SCHEMBL13229730,
ZINC20250011,
AKOS009018907,
MCULE-9958753385,
NE18476,
EN300-66256,
Z1259192107,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.212g/mol |
| Monoisotopic Mass | 173.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number