| CAS Number | 188845-07-0 |
| Catalog Number | AG01ABGJ(AGN-PC-03F2R0) |
| Chemical Name | 4-[(methoxycarbonyl)amino]butanoic acid |
| IUPAC Name | 4-(methoxycarbonylamino)butanoic acid |
| InChI | InChI=1S/C6H11NO4/c1-11-6(10)7-4-2-3-5(8)9/h2-4H2,1H3,(H,7,10)(H,8,9) |
| InChI Key | NRNSATHMPHIAMT-UHFFFAOYSA-N |
| MDL Number | MFCD11128968 |
| Molecular Formula | C6H11NO4 |
| Molecular Weight | 161.1558 |
| SMILES | COC(NCCCC(O)=O)=O |
| Synonyms | 4-[(methoxycarbonyl)amino]butanoic acid,
188845-07-0,
SCHEMBL628018,
AC1Q44E2,
ZINC19815711,
AKOS000203946,
MCULE-4986877538,
NE30782,
EN300-71560,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.157g/mol |
| Monoisotopic Mass | 161.069g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number