| CAS Number | 1380486-16-7 |
| Catalog Number | AG00ITW8(AGN-PC-0WB2PF) |
| Chemical Name | Benzyl N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamate |
| IUPAC Name | benzyl N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamate |
| InChI | InChI=1S/C14H19NO3/c16-9-12-6-7-13(8-12)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,15,17)/t12-,13+/m0/s1 |
| InChI Key | FDKXYQLCKKQFKQ-QWHCGFSZSA-N |
| MDL Number | MFCD22126135 |
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.3056 |
| SMILES | O=C(N[C@@H]1CC[C@H](CO)C1)OCc1ccccc1 |
| Synonyms | 1380486-16-7,
benzyl N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamate,
Benzyl N-[(1R,3S)-3-(hydroxymethyl)-cyclopentyl]carbamate,
KS-00002B7L,
ZX-AT013687,
MFCD22126135,
ZINC72190697,
AKOS015991608,
FCH3953766,
OR61162,
SS-4380,
Benzyl [(1R,3S)-3-(hydroxymethyl)cyclopent-1-yl]carbamate,
(1R,3S)-1-Amino-3-(hydroxymethyl)cyclopentane, N-CBZ protected,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.31g/mol |
| Monoisotopic Mass | 249.136g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number