Responsive image

Common name

[(2S)-pyrrolidin-2-yl]methanol

IUPAC name

[(2S)-pyrrolidin-2-yl]methanol

SMILES

N1C(CCC1)CO

Common name

[(2S)-pyrrolidin-2-yl]methanol

IUPAC name

[(2S)-pyrrolidin-2-yl]methanol

SMILES

N1C(CCC1)CO

INCHI

InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1

FORMULA

C5H11NO

Responsive image

Common name

[(2S)-pyrrolidin-2-yl]methanol

IUPAC name

[(2S)-pyrrolidin-2-yl]methanol





Molecular weight

101.147

clogP

0.702

clogS

-0.563

Frequency

0.0003





HBond Acceptor

1

HBond Donor

2

Total Polar
Surface Area

32.26

Number of Rings

1

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01395 Avanafil Responsive image Genito Urinary System and Sex Hormones; Drugs Used in Erectile Dysfunction; Urological Agents; CYP3A4 Inhibitors; Treatment of erectile dysfunction in males.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
3fh5_ligand_2_9.mol2 3fh5 1 -6.31 C([C@H]1CCC[NH2+]1)O 7
3fun_ligand_2_14.mol2 3fun 1 -6.31 [C@H]1([NH2+]CCC1)CO 7
3fui_ligand_2_0.mol2 3fui 1 -6.25 C([C@@H]1[NH2+]CCC1)O 7
3fh7_ligand_2_18.mol2 3fh7 1 -6.06 OC[C@@H]1CCC[NH2+]1 7
2qmg_ligand_1_7.mol2 2qmg 1 -6.04 C1C[NH2+][C@H](C1)CO 7
2qmd_ligand_1_3.mol2 2qmd 1 -6.03 [C@H]1([NH2+]CCC1)CO 7
2qmf_ligand_1_9.mol2 2qmf 1 -6.02 C1C[NH2+][C@H](C1)CO 7
4v24_ligand_1_8.mol2 4v24 1 -5.97 [NH2+]1[C@H](CCC1)CO 7
2g5p_ligand_2_5.mol2 2g5p 1 -5.84 OC[C@H]1CCC[NH2+]1 7
103 , 11