| CAS Number | 5910-56-5 |
| Catalog Number | AG00EV3V(AGN-PC-0SRADO) |
| Chemical Name | 3-[(2,2-DIMETHYLPROPANOYL)AMINO]PROPANOIC ACID |
| IUPAC Name | 3-(2,2-dimethylpropanoylamino)propanoic acid |
| InChI | InChI=1S/C8H15NO3/c1-8(2,3)7(12)9-5-4-6(10)11/h4-5H2,1-3H3,(H,9,12)(H,10,11) |
| InChI Key | TYDIQYQCSVGLNJ-UHFFFAOYSA-N |
| MDL Number | MFCD08444989 |
| Molecular Formula | C8H15NO3 |
| Molecular Weight | 173.2096 |
| SMILES | CC(C(NCCC(O)=O)=O)(C)C |
| Synonyms | 3-[(2,2-dimethylpropanoyl)amino]propanoic acid,
5910-56-5,
3-Pivalamidopropanoic acid,
N-(2,2-dimethylpropanoyl)-beta-alanine,
3-(2,2-dimethylpropanamido)propanoic acid,
AC1Q1LQM,
SCHEMBL2861129,
CTK5A9444,
DTXSID80585481,
TYDIQYQCSVGLNJ-UHFFFAOYSA-N,
ZINC11891636,
AKOS000133031,
MCULE-4042122234,
NE31785,
EN300-27606,
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| Complexity | 181 |
| 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 | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number