(S) - Methyl 2- Amino- 3- cyclopropylpropanoat e Hydrochloride - CAS 206438-31-5
Catalog: |
BB058942 |
Product Name: |
(S) - Methyl 2- Amino- 3- cyclopropylpropanoat e Hydrochloride |
CAS: |
206438-31-5 |
Synonyms: |
(S)-Methyl 2-Amino-3-cyclopropylpropanoate Hydrochloride |
IUPAC Name: | methyl (2S)-2-amino-3-cyclopropylpropanoatehydrochloride |
Description: | (S) - Methyl 2- Amino- 3- cyclopropylpropanoat e Hydrochloride is a reactant used in the preparation of broad-spectrum inhibitors of coronavirus and enterovirus replication. |
Molecular Weight: | 143.18 + 36.46 |
Molecular Formula: | C7H13NO2·HCl |
Canonical SMILES: | COC(=O)C(CC1CC1)N.Cl |
InChI: | InChI=1S/C7H13NO2.ClH/c1-10-7(9)6(8)4-5-2-3-5/h5-6H,2-4,8H2,1H31H/t6-/m0./s1 |
InChI Key: | BAFGFLVLZUVHIL-RGMNGODLSA-N |
References: | Zhang, L. et al. bioRxiv., 1 ( 2020); Zhang, L. et al. J. Med. Chem., 63, 4562 (2020). |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.0713064 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.0713064 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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