Common name
(2S)-N-ethyl-1-formyl-pyrrolidine-2-carboxamide
IUPAC name
(2S)-N-ethyl-1-formyl-pyrrolidine-2-carboxamide
SMILES
C(NC(=O)C1CCCN1C=O)C
Common name
(2S)-N-ethyl-1-formyl-pyrrolidine-2-carboxamide
IUPAC name
(2S)-N-ethyl-1-formyl-pyrrolidine-2-carboxamide
SMILES
C(NC(=O)C1CCCN1C=O)C
INCHI
InChI=1S/C8H14N2O2/c1-2-9-8(12)7-4-3-5-10(7)6-11/h6-7H,2-5H2,1H3,(H,9,12)/t7-/m0/s1
FORMULA
C8H14N2O2
Common name
(2S)-N-ethyl-1-formyl-pyrrolidine-2-carboxamide
IUPAC name
(2S)-N-ethyl-1-formyl-pyrrolidine-2-carboxamide
Molecular weight
170.209
clogP
0.231
clogS
-0.830
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
49.41
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00006 | Felypressin |
|
Vasoconstrictor Agents; Renal Agents; | For use as an alternative to adrenaline as a localising agent, provided that local ischaemia is not essential. |
| FDBD01114 | Carbetocin |
|
Oxytocics; Delayed-Action Preparations; Anti-tocolytic Agents; Labor Induction Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Posterior Pituitary Lobe Hormones; Oxytocin and Analogues; | Used to control postpartum hemorrhage and bleeding after giving birth. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1doj_ligand_4_229.mol2 | 1doj | 1 | -6.81 | C(=O)(NCC)[C@H]1N(C(=O)C)CCC1 | 13 |
| 1lhg_ligand_4_95.mol2 | 1lhg | 1 | -6.78 | CC(=O)N1[C@H](C(=O)NCC)CCC1 | 13 |
| 1lhf_ligand_4_191.mol2 | 1lhf | 1 | -6.77 | C(C)NC(=O)[C@@H]1CCCN1C(=O)C | 13 |
| 1lhd_ligand_4_138.mol2 | 1lhd | 1 | -6.73 | CC(=O)N1[C@H](C(=O)NCC)CCC1 | 13 |
| 1lhc_ligand_4_138.mol2 | 1lhc | 1 | -6.71 | [C@H]1(CCCN1C(=O)C)C(=O)NCC | 13 |
| 3aho_ligand_3_78.mol2 | 3aho | 1 | -6.66 | C(NC(=O)[C@H]1N(C=O)CCC1)C | 12 |
| 1ad8_ligand_4_148.mol2 | 1ad8 | 1 | -6.62 | C1N(C(=O)C)[C@@H](CC1)C(=O)NCC | 13 |
| 1doj_ligand_3_164.mol2 | 1doj | 1 | -6.58 | C(=O)(NCC)[C@H]1N(C=O)CCC1 | 12 |
| 1qbv_ligand_3_46.mol2 | 1qbv | 1 | -6.57 | CCNC(=O)[C@H]1N(C=O)CCC1 | 12 |
| 1lhf_ligand_3_59.mol2 | 1lhf | 1 | -6.55 | C(NC(=O)[C@@H]1CCCN1C=O)C | 12 |
126 ,
13
