| CAS Number | 21555-95-3 |
| Catalog Number | AG00I46H(AGN-PC-0QY3H0) |
| Chemical Name | N-(2-Carboxyethyl)-N-methyl-beta-alanine |
| IUPAC Name | 3-[2-carboxyethyl(methyl)amino]propanoic acid |
| 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 |
| MDL Number | MFCD16301579 |
| Molecular Formula | C7H13NO4 |
| Molecular Weight | 175.1824 |
| SMILES | O=C(O)CCN(CCC(O)=O)C |
| Synonyms | N-(2-carboxyethyl)-N-methyl-beta-alanine,
21555-95-3,
3,3'-(Methylazanediyl)dipropanoic acid,
methyliminodipropionic acid,
SCHEMBL718216,
3,3'-Methyliminobispropionic acid,
ALBB-015028,
ZX-AN013736,
MFCD16301579,
ZINC39648711,
AKOS005174977,
beta-alanine, N-(2-carboxyethyl)-N-methyl-,
T3977,
3-[(2-carboxyethyl)(methyl)amino]propanoic acid,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.184g/mol |
| Monoisotopic Mass | 175.084g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3 |
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Certificate of Analysis
Lot Number