| CAS Number | 923249-19-8 |
| Catalog Number | AG00GUBV(AGN-PC-0WNLE3) |
| Chemical Name | 3-(3-methylbutanamido)propanoic acid |
| IUPAC Name | 3-(3-methylbutanoylamino)propanoic acid |
| InChI | InChI=1S/C8H15NO3/c1-6(2)5-7(10)9-4-3-8(11)12/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12) |
| InChI Key | FPGIUJGAKPQJQX-UHFFFAOYSA-N |
| MDL Number | MFCD08445040 |
| Molecular Formula | C8H15NO3 |
| Molecular Weight | 173.2096 |
| SMILES | CC(CC(NCCC(O)=O)=O)C |
| Synonyms | 3-(3-methylbutanamido)propanoic acid,
923249-19-8,
3-[(3-methylbutanoyl)amino]propanoic acid,
N-(3-Methylbutanoyl)-beta-alanine,
AC1Q1P37,
CTK6A6426,
ZINC11891622,
AKOS000130048,
MCULE-6075792636,
NE17908,
AJ-60405,
EN300-67139,
J-510622,
Z85914385,
2-Hydroxy-3-methylphenyl-acetic acid,
3-(3-methylbutanoylamino)propanoic acid,
|
| 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 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number