N-(Methoxycarbonyl)-D-tert-leucine - CAS 1191091-65-2
Catalog: |
BB060199 |
Product Name: |
N-(Methoxycarbonyl)-D-tert-leucine |
CAS: |
1191091-65-2 |
Synonyms: |
D-Valine,N-(methoxycarbonyl)-3-methyl-; (2R)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid; (2R)-2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoic acid; (R)-2-((Methoxycarbonyl)amino)-3,3-dimethylbutanoic acid; (R)-2-((Methoxycarbonyl)amino)-3,3-dimethylbutanoicacid |
IUPAC Name: | (2R)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid |
Molecular Weight: | 189.21 |
Molecular Formula: | C8H15NO4 |
Canonical SMILES: | CC(C)(C)C(C(=O)O)NC(=O)OC |
InChI: | InChI=1S/C8H15NO4/c1-8(2,3)5(6(10)11)9-7(12)13-4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1 |
InChI Key: | NWPRXAIYBULIEI-YFKPBYRVSA-N |
Storage: | 4°C |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.10010796 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 75.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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