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Specification
The molecular formula is C6H11NO2.
The synonyms are (R)-Amino-cyclopropyl-acetic acid methyl ester, 700342-85-4, METHYL (2R)-2-AMINO-2-CYCLOPROPYLACETATE, SCHEMBL1694458.
The molecular weight is 129.16 g/mol.
It was created on May 29, 2009, and modified on November 25, 2023.
The IUPAC name is methyl (2R)-2-amino-2-cyclopropylacetate.
The InChI is InChI=1S/C6H11NO2/c1-9-6(8)5(7)4-2-3-4/h4-5H,2-3,7H2,1H3/t5-/m1/s1.
The InChIKey is NZIFONPEUDXXJV-RXMQYKEDSA-N.
The canonical SMILES is COC(=O)C(C1CC1)N.
The computed properties include molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and compound is canonicalized.
Yes, (R)-Amino-cyclopropyl-acetic acid methyl ester is a canonicalized compound.