Symmetric-N,N-dimethylarginine | SBID = 1012 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 99.7 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -3.7 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| 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: | 158.4 | ||
| Sum Formula: | C8H18N4O2 | ||
| M / g/mol: | 202.25 | ||
| Complexity: | 206.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: Symmetric-N,N-dimethylarginine
- Preferred Abbreviation: Symmetric dimethylarginine
- IUPAC Name: (2S)-2-amino-5-[(N,N'-dimethylcarbamimidoyl)amino]pentanoic acid
- CAS: 30344-00-4
- CID: 169148
- InChiKey: HVPFXCBJHIIJGS-LURJTMIESA-N
- InChi: InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1
- CanoSmiles: CNC(=NC)NCCCC(C(=O)O)N
- IsoSmiles: CNC(=NC)NCCC[C@@H](C(=O)O)N
