| CAS Number | 1932255-43-0 |
| Catalog Number | AG00I2WW(AGN-PC-0WNGWY) |
| Chemical Name | (2S,3R)-3-methylazetidine-2-carboxylic acid |
| IUPAC Name | (2S,3R)-3-methylazetidine-2-carboxylic acid |
| InChI | InChI=1S/C5H9NO2/c1-3-2-6-4(3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4+/m1/s1 |
| InChI Key | WDWMCQMMMOWQAP-DMTCNVIQSA-N |
| MDL Number | MFCD19226412 |
| Molecular Formula | C5H9NO2 |
| Molecular Weight | 115.1305 |
| SMILES | O=C([C@H]1NC[C@H]1C)O |
| Synonyms | (2S,3R)-3-Methyl-2-azetidinecarboxylic acid,
(2S,3R)-3-Methylazetidine-2-carboxylic acid,
1932255-43-0,
SCHEMBL11017869,
MFCD19226412,
ZINC59551374,
AKOS006378857,
SB22203,
AS-52480,
CS-0053427,
2-Azetidinecarboxylic acid, 3-methyl-, (2S,3R)-,
877081-09-9,
na,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 115.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.132g/mol |
| Monoisotopic Mass | 115.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number