| CAS Number | 1396980-32-7 |
| Catalog Number | AG019O19 |
| Chemical Name | 2-[(1-Adamantylcarbonyl)amino]-4-methylpentanoic acid |
| IUPAC Name | 2-(adamantane-1-carbonylamino)-4-methylpentanoic acid |
| InChI | InChI=1S/C17H27NO3/c1-10(2)3-14(15(19)20)18-16(21)17-7-11-4-12(8-17)6-13(5-11)9-17/h10-14H,3-9H2,1-2H3,(H,18,21)(H,19,20) |
| InChI Key | JOUXQDDDDNUCGU-UHFFFAOYSA-N |
| MDL Number | MFCD03196181 |
| Molecular Formula | C17H27NO3 |
| Molecular Weight | 293.4012 |
| SMILES | CC(CC(C(O)=O)NC(C12CC3CC(C1)CC(C3)C2)=O)C |
| Synonyms | 2-[(1-adamantylcarbonyl)amino]-4-methylpentanoic acid,
2-(ADAMANTAN-1-YLFORMAMIDO)-4-METHYLPENTANOIC ACID,
EN300-12478,
1396980-32-7,
AC1NLPU5,
AC1Q1P62,
CTK6A6515,
STL371230,
AKOS002433948,
AKOS017271566,
MCULE-7600889352,
2-(adamantane-1-carbonylamino)-4-methylpentanoic acid,
N-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)leucine,
AIDS184453,
CID4961918,
|
| Complexity | 402 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.407g/mol |
| Monoisotopic Mass | 293.199g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number