| CAS Number | 1784351-60-5 |
| Catalog Number | AG01C3EM |
| Chemical Name | 2-[1-({[(tert-butoxy)carbonyl]amino}methyl)cyclopropyl]acetic acid |
| IUPAC Name | 2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]acetic acid |
| InChI | InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-7-11(4-5-11)6-8(13)14/h4-7H2,1-3H3,(H,12,15)(H,13,14) |
| InChI Key | XHYKUPXTKLTOHH-UHFFFAOYSA-N |
| MDL Number | MFCD26939046 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | O=C(O)CC1(CNC(OC(C)(C)C)=O)CC1 |
| Synonyms | 2-[1-({[(tert-butoxy)carbonyl]amino}methyl)cyclopropyl]acetic acid,
1784351-60-5,
SCHEMBL16667030,
XHYKUPXTKLTOHH-UHFFFAOYSA-N,
AKOS023810169,
ZINC211918555,
1-[(t-butoxycarbonylamino)methyl]cyclopropyl acetic acid,
1-[(t-butoxycarbonylamino)methyl]cyclopropylacetic acid,
Z2327883725,
|
| Complexity | 289 |
| 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 | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number