| CAS Number | 1822348-61-7 |
| Catalog Number | AG01DZ1G |
| Chemical Name | 2-{[(tert-butoxy)carbonyl]amino}-2-(1-methylcyclopropyl)acetic acid |
| IUPAC Name | 2-(1-methylcyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid |
| InChI | InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-7(8(13)14)11(4)5-6-11/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14) |
| InChI Key | YIVOXOHBBPCXTC-UHFFFAOYSA-N |
| MDL Number | MFCD24540977 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | CC(OC(NC(C1(CC1)C)C(O)=O)=O)(C)C |
| Synonyms | (S)-2-((tert-Butoxycarbonyl)amino)-2-(1-methylcyclopropyl)acetic acid,
928758-14-9,
SCHEMBL2377942,
AKOS034132665,
2-{[(tert-butoxy)carbonyl]amino}-2-(1-methylcyclopropyl)acetic acid,
1822348-61-7,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.276g/mol |
| Monoisotopic Mass | 229.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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