Metabolite Ramiprilat
- Name
- Ramiprilat
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 388.4574
Monoisotopic: 388.199822016 - Chemical Formula
- C21H28N2O5
- InChI Key
- KEDYTOTWMPBSLG-HILJTLORSA-N
- InChI
- InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1
- IUPAC Name
- (2S,3aS,6aS)-1-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]-octahydrocyclopenta[b]pyrrole-2-carboxylic acid
- SMILES
- C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O
- Reactions
- Ramipril Ramiprilat
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 205.92262 predictedDarkChem Lite v0.1.0 [M-H]- 184.80571 predictedDeepCCS 1.0 (2019) [M-H]- 205.92262 predictedDarkChem Lite v0.1.0 [M-H]- 184.80571 predictedDeepCCS 1.0 (2019) [M+H]+ 204.29872 predictedDarkChem Lite v0.1.0 [M+H]+ 187.20128 predictedDeepCCS 1.0 (2019) [M+H]+ 204.29872 predictedDarkChem Lite v0.1.0 [M+H]+ 187.20128 predictedDeepCCS 1.0 (2019) [M+Na]+ 204.56692 predictedDarkChem Lite v0.1.0 [M+Na]+ 193.11382 predictedDeepCCS 1.0 (2019) [M+Na]+ 204.56692 predictedDarkChem Lite v0.1.0 [M+Na]+ 193.11382 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0060579
- ChemSpider
- 4576531
- ChEBI
- 77363
- ChEMBL
- CHEMBL1201365
- ZINC
- ZINC000004217399
- Predicted Properties
Property Value Source Water Solubility 0.214 mg/mL ALOGPS logP 0.54 ALOGPS logP -0.18 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 3.13 Chemaxon pKa (Strongest Basic) 8.05 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 106.94 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 101.67 m3·mol-1 Chemaxon Polarizability 40.37 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon