(R)-tert-Butyl (1-Cyanopropan-2-yl)carbamate - CAS 170367-68-7
Catalog: |
BB071673 |
Product Name: |
(R)-tert-Butyl (1-Cyanopropan-2-yl)carbamate |
CAS: |
170367-68-7 |
Synonyms: |
(R)-TERT-BUTYL (1-CYANOPROPAN-2-YL)CARBAMATE; tert-butyl N-[(2R)-1-cyanopropan-2-yl]carbamate; (R)-(2-Cyano-1-methylethyl)carbamic acid, 1,1-dimethylethyl ester; Carbamic acid, [(1R)-2-cyano-1-methylethyl]-, 1,1-dimethylethyl ester (9CI) |
IUPAC Name: | tert-butyl N-[(2R)-1-cyanopropan-2-yl]carbamate |
Description: | (R)-tert-Butyl (1-Cyanopropan-2-yl)carbamate is an intermediate used to synthesize spermidine analogs of 15-deoxyspergualin with immunosuppressive activities. It is also used to prepare pyridin-2-ylmethylaminopiperidin-1-ylbutyl amide CCR5 antagonists as inhibitors of M-tropic (R5) HIV-1 replication. |
Molecular Weight: | 184.24 |
Molecular Formula: | C9H16N2O2 |
Canonical SMILES: | CC(CC#N)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C9H16N2O2/c1-7(5-6-10)11-8(12)13-9(2,3)4/h7H,5H2,1-4H3,(H,11,12)/t7-/m1/s1 |
InChI Key: | DIUMTAGYVCAZRM-SSDOTTSWSA-N |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.121177757 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 62.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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