Common name
(2S)-1-acetylpyrrolidine-2-carboxylic acid
IUPAC name
(2S)-1-acetylpyrrolidine-2-carboxylic acid
SMILES
O=C(N1CCCC1C(=O)O)C
Common name
(2S)-1-acetylpyrrolidine-2-carboxylic acid
IUPAC name
(2S)-1-acetylpyrrolidine-2-carboxylic acid
SMILES
O=C(N1CCCC1C(=O)O)C
INCHI
InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1
FORMULA
C7H11NO3
Common name
(2S)-1-acetylpyrrolidine-2-carboxylic acid
IUPAC name
(2S)-1-acetylpyrrolidine-2-carboxylic acid
Molecular weight
157.167
clogP
-0.091
clogS
0.209
Frequency
0.0007
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
57.61
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00365 | Fosinopril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; | For treating mild to moderate hypertension, use as an adjunct in treating congestive heart failure, and may be used to slow the rate of progression of renal disease in hypertensive individuals with diabetes mellitus and microalbuminuria or overt nephropathy. |
| FDBD00586 | Lisinopril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiotonic Agents; Lipid Modifying Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; ACE Inhibitors and Calcium Channel Blockers; | For the treatment of hypertension and symptomatic congestive heart failure. May be used in conjunction with thrombolytic agents, aspirin and/or β-blockers to improve survival in hemodynamically stable individuals following myocardial infarction. May be used to slow the progression of renal disease in hypertensive patients with diabetes mellitus and microalbuminuria or overt nephropathy. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4du8_ligand_1_1.mol2 | 4du8 | 1 | -6.86 | CC(=O)N1[C@@H](CCC1)C(=O)O | 11 |
| 4dpy_ligand_1_1.mol2 | 4dpy | 1 | -6.70 | N1([C@@H](CCC1)C(=O)O)C(=O)C | 11 |
| 4ayu_ligand_frag_0.mol2 | 4ayu | 1 | -6.39 | C(=O)(N1[C@H](CCC1)C(=O)O)C | 11 |
| 4ayu_ligand.mol2 | 4ayu | 1 | -6.39 | C(=O)(C)N1[C@H](CCC1)C(=O)O | 12 |
| 4avt_ligand_1_0.mol2 | 4avt | 1 | -6.32 | CC(=O)N1[C@H](CCC1)C(=O)O | 11 |
| 4avs_ligand_frag_0.mol2 | 4avs | 1 | -6.28 | O=C(O)[C@H]1N(C(=O)C)CCC1 | 11 |
| 4avs_ligand.mol2 | 4avs | 1 | -6.28 | O=C(O)[C@H]1N(C(=O)C)CCC1 | 12 |
107 ,
11
