| CAS Number | 1035325-28-0 |
| Catalog Number | AG01EKF6 |
| Chemical Name | 5-{[(tert-butoxy)carbonyl]amino}bicyclo[3.1.1]heptane-1-carboxylic acid |
| IUPAC Name | 5-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.1]heptane-1-carboxylic acid |
| InChI | InChI=1S/C13H21NO4/c1-11(2,3)18-10(17)14-13-6-4-5-12(7-13,8-13)9(15)16/h4-8H2,1-3H3,(H,14,17)(H,15,16) |
| InChI Key | VJMSCDJQBXPPAR-UHFFFAOYSA-N |
| MDL Number | MFCD13806407 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | O=C(OC(C)(C)C)NC12CCCC(C(=O)O)(C1)C2 |
| Synonyms | 1035325-28-0,
5-{[(tert-butoxy)carbonyl]amino}bicyclo[3.1.1]heptane-1-carboxylic acid,
5-[(tert-butoxycarbonyl)amino]bicyclo[3.1.1]heptane-1-carboxylic acid,
5-((tert-butoxycarbonyl)amino)bicyclo[3.1.1]heptane-1-carboxylic acid,
AC1Q1NBC,
SCHEMBL3213624,
CTK7G9074,
VJMSCDJQBXPPAR-UHFFFAOYSA-N,
ZINC12506816,
AKOS034230546,
EN300-88109,
Z360059742,
5-tert-Butoxycarbonylamino-bicyclo[3.1.1]heptane-1-carboxylic acid,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.314g/mol |
| Monoisotopic Mass | 255.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number