| CAS Number | 68223-02-9 |
| Catalog Number | AG00FEBL(AGN-PC-0OGIJQ) |
| Chemical Name | N-ALpha-carbobenzoxy-d-alanine methyl ester |
| IUPAC Name | methyl 2-(phenylmethoxycarbonylamino)propanoate |
| InChI | InChI=1S/C12H15NO4/c1-9(11(14)16-2)13-12(15)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,15) |
| InChI Key | OMDVFTVXPVXANK-UHFFFAOYSA-N |
| MDL Number | MFCD00136584 |
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.2518 |
| NSC Number | 164663 |
| SMILES | CC(C(=O)OC)NC(=O)OCC1=CC=CC=C1 |
| Synonyms | 64562-95-4,
N-Alpha-carbobenzoxy-d-alanine methyl ester,
NSC164663,
methyl 2-(phenylmethoxycarbonylamino)propanoate,
AC1L6O9S,
SCHEMBL5412160,
CTK9A0612,
DTXSID20304219,
68223-02-9,
AKOS008937826,
MCULE-4713425539,
NSC-164663,
methyl N-[(benzyloxy)carbonyl]alaninate,
ST012420,
CARBOBENZYLOXY-DL-ALANINE METHYL ESTER,
methyl 2-[(phenylmethoxy)carbonylamino]propanoate,
2-(Benzyloxycarbonylamino)propionic acid methyl ester,
CID295486,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.255g/mol |
| Monoisotopic Mass | 237.1g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number