| CAS Number | 83349-20-6 |
| Catalog Number | AG00IDAN(AGN-PC-0WG3PC) |
| Chemical Name | Z-4-Amino-3-hydroxybutyric acid |
| IUPAC Name | 3-hydroxy-4-(phenylmethoxycarbonylamino)butanoic acid |
| InChI | InChI=1S/C12H15NO5/c14-10(6-11(15)16)7-13-12(17)18-8-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,17)(H,15,16) |
| InChI Key | FHBQZMZFAJJFDA-UHFFFAOYSA-N |
| MDL Number | MFCD00191057 |
| Molecular Formula | C12H15NO5 |
| Molecular Weight | 253.2512 |
| SMILES | OC(CC(O)=O)CNC(OCC1=CC=CC=C1)=O |
| Synonyms | Z-4-AMINO-3-HYDROXYBUTYRIC ACID,
83349-20-6,
4-(((Benzyloxy)carbonyl)amino)-3-hydroxybutanoic acid,
118125-41-0,
4-{[(BENZYLOXY)CARBONYL]AMINO}-3-HYDROXYBUTANOIC ACID,
SCHEMBL222634,
FHBQZMZFAJJFDA-UHFFFAOYSA-N,
7850AH,
MFCD00191057,
CS-0035826,
4-benzyloxycarbonylamino-3-hydroxy-butyric acid,
K-1241,
4-(benzyloxycarbonylamino)-3-hydroxybutanoic acid,
4-((Benzyloxycarbonyl)amino)-3-hydroxybutanoic acid,
C12H15NO5,
CID11118576,
3-hydroxy-4-phenylmethoxycarbonylamino-butanoic Acid,
3-hydroxy-4-[[(phenylmethoxy)carbonyl]amino]Butanoic acid,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.254g/mol |
| Monoisotopic Mass | 253.095g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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