| CAS Number | 145106-46-3 |
| Catalog Number | AG003AVA(AGN-PC-0PWM7E) |
| Chemical Name | (S)-N-tert-butoxycarbonyl-2-aminocyclopentanone |
| IUPAC Name | tert-butyl N-[(1S)-2-oxocyclopentyl]carbamate |
| InChI | InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(7)12/h7H,4-6H2,1-3H3,(H,11,13)/t7-/m0/s1 |
| InChI Key | UXSQXOIYRVCHBS-ZETCQYMHSA-N |
| MDL Number | MFCD18831387 |
| Molecular Formula | C10H17NO3 |
| Molecular Weight | 199.2469 |
| SMILES | C(C)(C)(C)OC(=O)N[C@@H]1C(CCC1)=O |
| Synonyms | (S)-N-tert-butoxycarbonyl-2-aminocyclopentanone,
145106-46-3,
tert-Butyl N-[(1S)-2-oxocyclopentyl]carbamate,
SCHEMBL15192054,
UXSQXOIYRVCHBS-ZETCQYMHSA-N,
ZINC5714470,
MFCD18831387,
AKOS027398108,
t-Butyl (S)-(2-oxocyclopentyl)carbamate,
Tert-butyl (s)-(2-oxocyclopentyl)carbamate,
CS-0059815,
N-(2-Oxocyclopentan-1alpha-yl)carbamic acid 1,1-dimethylethyl ester,
tert-Butyl 2-oxocyclopentylcarbamate,
CID10397865,
Carbamic acid, (2-oxocyclopentyl)-, 1,1-dimethylethyl ester, (S)- (9CI),
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.25g/mol |
| Monoisotopic Mass | 199.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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