Responsive image

Common name

isobutyl formate

IUPAC name

isobutyl formate

SMILES

C(C)(C)COC=O

Common name

isobutyl formate

IUPAC name

isobutyl formate

SMILES

C(C)(C)COC=O

INCHI

InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3

FORMULA

C5H10O2

Responsive image

Common name

isobutyl formate

IUPAC name

isobutyl formate





Molecular weight

102.132

clogP

0.654

clogS

-0.721

Frequency

0.0010





HBond Acceptor

2

HBond Donor

0

Total Polar
Surface Area

26.3

Number of Rings

0

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00365 Fosinopril Responsive image 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.
FDBD00512 Dextropropoxyphene Responsive image Analgesics; Analgesics, Opioid; Narcotics; Antitussive Agents; Nervous System; Opioids; Diphenylpropylamine Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; For the relief of mild to moderate pain.
FDBD01488 Levopropoxyphene Responsive image ;
3 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1p6d_ligand_2_69.mol2 1p6d 1 -5.78 C(OC=O)CC 6
2qnz_ligand_2_27.mol2 2qnz 1 -5.63 C(C)COC=O 6
4drk_ligand_2_27.mol2 4drk 1 -5.22 CCCOC=O 6
4tw7_ligand_2_70.mol2 4tw7 1 -5.17 C(C)COC=O 6
4tw8_ligand_2_87.mol2 4tw8 1 -5.16 C(COC=O)C 6
4k42_ligand_1_5.mol2 4k42 1 -5.07 C(OC=O)CC 6
4k42_ligand_2_42.mol2 4k42 1 -4.85 CCCOC=O 6
1p6d_ligand_3_344.mol2 1p6d 0.928571 -6.11 [C@H](OC=O)(CC)C 7
116 , 12