asymmetric N,N-dimethylarginine | SBID = 1011 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 105.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -3.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 159.6 | ||
| Sum Formula: | C8H18N4O2 | ||
| M / g/mol: | 202.25 | ||
| Complexity: | 215.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: asymmetric N,N-dimethylarginine
- Preferred Abbreviation: Asymmetric dimethylarginine
- IUPAC Name: (2S)-2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid
- CAS: 30315-93-6
- CID: 123831
- InChiKey: YDGMGEXADBMOMJ-LURJTMIESA-N
- InChi: InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1
- CanoSmiles: CN(C)C(=NCCCC(C(=O)O)N)N
- IsoSmiles: CN(C)C(=NCCC[C@@H](C(=O)O)N)N
