| CAS Number | 24809-91-4 |
| Catalog Number | AG002PIN(AGN-PC-0O8816) |
| Chemical Name | (2R)-2-(carbamoylamino)-3-methylbutanoic acid |
| IUPAC Name | (2R)-2-(carbamoylamino)-3-methylbutanoic acid |
| InChI | InChI=1S/C6H12N2O3/c1-3(2)4(5(9)10)8-6(7)11/h3-4H,1-2H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1 |
| InChI Key | JDXMIYHOSFNZKO-SCSAIBSYSA-N |
| MDL Number | MFCD21332684 |
| Molecular Formula | C6H12N2O3 |
| Molecular Weight | 160.1711 |
| SMILES | CC([C@H](C(O)=O)NC(N)=O)C |
| Synonyms | N-CARBAMYL-D-VALINE,
N-carbamoyl-D-valine,
(2R)-2-(carbamoylamino)-3-methylbutanoic acid,
3-METHYL-2-UREIDO-BUTYRIC ACID,
D-Valine, N-(aminocarbonyl)-,
CHEBI:41469,
24809-91-4,
(2R)-2-[(aminocarbonyl)amino]-3-methylbutanoic acid,
N-carba-myl-d-valine,
AC1L9MG4,
CHEMBL187835,
SCHEMBL3286142,
CTK0J4569,
DTXSID70332289,
ZINC82069927,
AKOS017531886,
DB01847,
(S)-3-Methyl-2-ureidobutanoic acid,
CID448879,
CDV,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.173g/mol |
| Monoisotopic Mass | 160.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number