| CAS Number | 876624-49-6 |
| Catalog Number | AG01C4F0(AGN-PC-0VFQ4R) |
| Chemical Name | 2-(3-{[(Tert-butoxy)carbonyl]amino}-2-oxoazepan-1-yl)acetic acid |
| IUPAC Name | 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]acetic acid |
| InChI | InChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)14-9-6-4-5-7-15(11(9)18)8-10(16)17/h9H,4-8H2,1-3H3,(H,14,19)(H,16,17) |
| InChI Key | JABSORAZQPYNMZ-UHFFFAOYSA-N |
| MDL Number | MFCD24533416 |
| Molecular Formula | C13H22N2O5 |
| Molecular Weight | 286.3242 |
| SMILES | CC(OC(NC1C(=O)N(CC(O)=O)CCCC1)=O)(C)C |
| Synonyms | 2-(3-{[(tert-butoxy)carbonyl]amino}-2-oxoazepan-1-yl)acetic acid,
876624-49-6,
(S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxoazepan-1-yl)acetic acid,
AC1NFQVS,
SCHEMBL3724402,
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]acetic acid,
JABSORAZQPYNMZ-UHFFFAOYSA-N,
AKOS033983455,
Z2694742544,
(3-tert-Butoxycarbonylamino-2-oxo-azepan-1-yl)-acetic acid,
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]acetic acid,
CID4712529,
79839-29-5,
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-azepan-1-yl]acetic Acid,
|
| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.328g/mol |
| Monoisotopic Mass | 286.153g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number