| CAS Number | 1169936-04-2 |
| Catalog Number | AG000DGT(AGN-PC-0IR5T7) |
| Chemical Name | 1-cyclopentene-1-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester |
| IUPAC Name | methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentene-1-carboxylate |
| InChI | InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-9-6-5-8(7-9)10(14)16-4/h5,9H,6-7H2,1-4H3,(H,13,15) |
| InChI Key | BPVUUOLKMLXVJR-UHFFFAOYSA-N |
| MDL Number | MFCD24532039 |
| Molecular Formula | C12H19NO4 |
| Molecular Weight | 241.2836 |
| SMILES | COC(C1CC(NC(OC(C)(C)C)=O)CC=1)=O |
| Synonyms | 1169936-04-2,
1-Cyclopentene-1-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester,
SCHEMBL7551263,
MFCD24532039,
AKOS016340323,
MCULE-5220767920,
AS-48035,
L-1353,
methyl 4-(t-butoxycarbonylamino)cyclopent-1-enecarboxylate,
methyl 4-{[(tert-butoxy)carbonyl]amino}cyclopent-1-ene-1-carboxylate,
4-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-cyclopentene-1-carboxylic acid methyl ester,
methyl (4R)-4-{[(tert-butoxy)carbonyl]amino}cyclopent-1-ene-1-carboxylate,
methyl (4S)-4-{[(tert-butoxy)carbonyl]amino}cyclopent-1-ene-1-carboxylate,
251327-00-1,
251327-01-2,
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| Complexity | 341 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.287g/mol |
| Monoisotopic Mass | 241.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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