| CAS Number | 742655-88-5 |
| Catalog Number | AG00ICI3(AGN-PC-0WOJ4U) |
| Chemical Name | Methyl (2S)-2-amino-5-(carbamoylamino)pentanoate |
| IUPAC Name | methyl (2S)-2-amino-5-(carbamoylamino)pentanoate |
| InChI | InChI=1S/C7H15N3O3/c1-13-6(11)5(8)3-2-4-10-7(9)12/h5H,2-4,8H2,1H3,(H3,9,10,12)/t5-/m0/s1 |
| InChI Key | JVJIDUNQGFPNLO-YFKPBYRVSA-N |
| MDL Number | MFCD27578185 |
| Molecular Formula | C7H15N3O3 |
| Molecular Weight | 189.2123 |
| SMILES | COC([C@H](CCCNC(N)=O)N)=O |
| Synonyms | Methyl (2S)-2-amino-5-(carbamoylamino)pentanoate,
742655-88-5,
SCHEMBL8580173,
ZINC34770242,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.215g/mol |
| Monoisotopic Mass | 189.111g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
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Certificate of Analysis
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