(2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid

C14H14FNO5 — CID 91042294

IUPAC(2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid
SMILESO=C(O)C1CO[C@]2(OC1CCF)C(=O)Nc1ccccc12
InChIInChI=1S/C14H14FNO5/c15-6-5-11-8(12(17)18)7-20-14(21-11)9-3-1-2-4-10(9)16-13(14)19/h1-4,8,11H,5-7H2,(H,16,19)(H,17,18)/t8?,11?,14-/m1/s1
InChIKeyFIWGYUJEOMXSSH-FVLSLKPWSA-N
MW295.27 g/mol
LogP1.27
Rot. Bonds3

About (2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid

(2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid (PubChem CID 91042294) has the molecular formula C14H14FNO5 and a molecular weight of 295.27 g/mol. Its IUPAC name is (2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid
PubChem CID91042294
Molecular FormulaC14H14FNO5
Molecular Weight295.27 g/mol
Exact Mass295.09
IUPAC Name(2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid
SMILESO=C(O)C1CO[C@]2(OC1CCF)C(=O)Nc1ccccc12
InChIInChI=1S/C14H14FNO5/c15-6-5-11-8(12(17)18)7-20-14(21-11)9-3-1-2-4-10(9)16-13(14)19/h1-4,8,11H,5-7H2,(H,16,19)(H,17,18)/t8?,11?,14-/m1/s1
InChIKeyFIWGYUJEOMXSSH-FVLSLKPWSA-N
XLogP1.27
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
CID 17368605
4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
CID 91307632
1,3-dimethyl-7-[[(2R,4S)-2'-oxospiro[1,3-dioxolane-2,3'-1H-indole]-4-yl]methyl]purine-2,6-dione
CID 92513753
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638
methyl (1R,4R,4aS,5aS,6R,10aS)-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
CID 163040761
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 143412734
4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
CID 123548047
(3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one
CID 102181510
ethyl (1'S,3R,5'R,6'S)-2,4'-dioxo-1'-phenylspiro[1H-indole-3,7'-8-oxabicyclo[3.2.1]octane]-6'-carboxylate
CID 11349847
ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate
CID 11195429
N-[(3R,4'S)-2-oxospiro[1H-indole-3,2'-oxane]-4'-yl]acetamide
CID 168509977
(3R)-3-hydroxy-3-[(E)-2-hydroxy-4-oxopent-2-enyl]-1H-indol-2-one
CID 177471424

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid?
The IUPAC name of (2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid (CID 91042294) is (2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid.
What is the SMILES notation for (2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid?
The canonical SMILES for (2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid is O=C(O)C1CO[C@]2(OC1CCF)C(=O)Nc1ccccc12.
What is the InChIKey of (2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid?
The InChIKey is FIWGYUJEOMXSSH-FVLSLKPWSA-N. The full InChI is InChI=1S/C14H14FNO5/c15-6-5-11-8(12(17)18)7-20-14(21-11)9-3-1-2-4-10(9)16-13(14)19/h1-4,8,11H,5-7H2,(H,16,19)(H,17,18)/t8?,11?,14-/m1/s1.
What are the key properties of (2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid?
(2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid has a molecular weight of 295.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-fluoroethyl)-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5-carboxylic acid is sourced from PubChem (CID 91042294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).