| CAS Number | 463943-04-6 |
| Catalog Number | AG01B8JH(AGN-PC-0WOF7K) |
| Chemical Name | 2-(carbamoylamino)-3,3-dimethylbutanoic acid |
| IUPAC Name | 2-(carbamoylamino)-3,3-dimethylbutanoic acid |
| InChI | InChI=1S/C7H14N2O3/c1-7(2,3)4(5(10)11)9-6(8)12/h4H,1-3H3,(H,10,11)(H3,8,9,12) |
| InChI Key | JDFUKHCIGQJBDY-UHFFFAOYSA-N |
| MDL Number | MFCD12176585 |
| Molecular Formula | C7H14N2O3 |
| Molecular Weight | 174.1977 |
| SMILES | CC(C(C(O)=O)NC(N)=O)(C)C |
| Synonyms | 2-(carbamoylamino)-3,3-dimethylbutanoic acid,
463943-04-6,
D-Valine, N-(aminocarbonyl)-3-methyl-,
L-Valine, N-(aminocarbonyl)-3-methyl-,
ACMC-20mgrb,
ACMC-20n64e,
112674-67-6,
151095-77-1,
AKOS009502743,
Z1998636575,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.2g/mol |
| Monoisotopic Mass | 174.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number