| CAS Number | 1016714-10-5 |
| Catalog Number | AG01A8AH |
| Chemical Name | 2-(([(4-Nitrophenyl)methyl]carbamoyl)amino)acetic acid |
| IUPAC Name | 2-[(4-nitrophenyl)methylcarbamoylamino]acetic acid |
| InChI | InChI=1S/C10H11N3O5/c14-9(15)6-12-10(16)11-5-7-1-3-8(4-2-7)13(17)18/h1-4H,5-6H2,(H,14,15)(H2,11,12,16) |
| InChI Key | QSWDCEAMUJTUIL-UHFFFAOYSA-N |
| MDL Number | MFCD09813161 |
| Molecular Formula | C10H11N3O5 |
| Molecular Weight | 253.2114 |
| SMILES | OC(CNC(NCC1=CC=C([N+]([O-])=O)C=C1)=O)=O |
| Synonyms | 2-({[(4-nitrophenyl)methyl]carbamoyl}amino)acetic acid,
1016714-10-5,
AC1Q760Y,
CTK7G8416,
ZINC19282225,
AKOS000154913,
MCULE-4119153713,
NE39018,
EN300-61168,
Z223125950,
2-(([(4-nitrophenyl)methyl]carbamoyl)amino)acetic acid,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.214g/mol |
| Monoisotopic Mass | 253.07g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number