N-(2-Carboxyethyl)-N-methyl-β-alanine - CAS 21555-95-3
Catalog: |
BB062251 |
Product Name: |
N-(2-Carboxyethyl)-N-methyl-β-alanine |
CAS: |
21555-95-3 |
Synonyms: |
N-(2-carboxyethyl)-N-methyl-beta-alanine; N-(2-Carboxyethyl)-N-methyl-b-alanine; 3,3'-(Methylazanediyl)dipropanoic acid; b-Alanine, N-(2-carboxyethyl)-N-methyl-; methyliminodipropionic acid; 3-[(2-carboxyethyl)(methyl)amino]propanoic acid; 3,3'-Methyliminobispropionic acid |
IUPAC Name: | 3-[2-carboxyethyl(methyl)amino]propanoic acid |
Molecular Weight: | 175.18 |
Molecular Formula: | C7H13NO4 |
Canonical SMILES: | CN(CCC(=O)O)CCC(=O)O |
InChI: | InChI=1S/C7H13NO4/c1-8(4-2-6(9)10)5-3-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12) |
InChI Key: | IPQKIOGNAKWLSO-UHFFFAOYSA-N |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.0844579 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.0844579 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 77.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -3 |
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