(R)-2-((Methoxycarbonyl)amino)-3-methylbutanoic Acid - CAS 171567-86-5
Catalog: |
BB056534 |
Product Name: |
(R)-2-((Methoxycarbonyl)amino)-3-methylbutanoic Acid |
CAS: |
171567-86-5 |
Synonyms: |
N-(Methoxycarbonyl)-D-valine; (R)-(+)-N-(Methoxycarbonyl)valine; (2R)-2-[(Methoxycarbonyl)amino]-3-methylbutanoic Acid |
IUPAC Name: | (2R)-2-(methoxycarbonylamino)-3-methylbutanoic acid |
Description: | (R)-2-((Methoxycarbonyl)amino)-3-methylbutanoic Acid is used in the synthetic preparation of dipeptide-capped bis-phenylimidazole derivatives as hepatitis C virus NS5A replication complex inhibitors. |
Molecular Weight: | 175.18 |
Molecular Formula: | C7H13NO4 |
Canonical SMILES: | CC(C)C(C(=O)O)NC(=O)OC |
InChI: | InChI=1S/C7H13NO4/c1-4(2)5(6(9)10)8-7(11)12-3/h4-5H,1-3H3,(H,8,11)(H,9,10)/t5-/m1/s1 |
InChI Key: | CEFVHPDFGLDQKU-RXMQYKEDSA-N |
References: | Belema, M.; et al. J. Med. Chem., 57, 2013 (2014). |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.0844579 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.0844579 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 75.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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