| CAS Number | 1638771-49-9 |
| Catalog Number | AG00HZ1P(AGN-PC-0WD8SN) |
| Chemical Name | 3-({[(tert-butoxy)carbonyl]amino}methyl)bicyclo[1.1.1]pentane-1-carboxylicacid |
| IUPAC Name | 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid |
| InChI | InChI=1S/C12H19NO4/c1-10(2,3)17-9(16)13-7-11-4-12(5-11,6-11)8(14)15/h4-7H2,1-3H3,(H,13,16)(H,14,15) |
| InChI Key | WVTIQANOLLCYCB-UHFFFAOYSA-N |
| MDL Number | MFCD27664882 |
| Molecular Formula | C12H19NO4 |
| Molecular Weight | 241.2836 |
| SMILES | O=C(OC(C)(C)C)NCC12CC(C(=O)O)(C1)C2 |
| Synonyms | 1638771-49-9,
3-(((tert-Butoxycarbonyl)amino)methyl)bicyclo[1.1.1]pentane-1-carboxylic acid,
3-({[(tert-butoxy)carbonyl]amino}methyl)bicyclo[1.1.1]pentane-1-carboxylic acid,
MFCD27664882,
AKOS027252373,
ZINC258839861,
SB11716,
AS-52003,
CS-0055561,
Z2168390074,
3-(((t-Butoxycarbonyl)amino)methyl)bicyclo[1.1.1]pentane-1-carboxylic acid,
3-({[(tert-butoxy)carbonyl]amino}methyl)bicyclo[1.1.1]pentane-1-carboxylicacid,
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| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.287g/mol |
| Monoisotopic Mass | 241.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number