tert-Butyl 2-amino-3-hydroxypropanoate - CAS 851588-08-4
Catalog: |
BB070923 |
Product Name: |
tert-Butyl 2-amino-3-hydroxypropanoate |
CAS: |
851588-08-4 |
Synonyms: |
tert-Butyl 2-amino-3-hydroxypropanoate; tert-Butyl D-serinate; 2-Amino-3-hydroxypropanoic acid tert-butyl ester |
IUPAC Name: | tert-butyl 2-amino-3-hydroxypropanoate |
Molecular Weight: | 161.2 |
Molecular Formula: | C7H15NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)C(CO)N |
InChI: | InChI=1S/C7H15NO3/c1-7(2,3)11-6(10)5(8)4-9/h5,9H,4,8H2,1-3H3 |
InChI Key: | XHWXHVOIWMNRLH-UHFFFAOYSA-N |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.10519334 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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