5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid

C14H16FNO5 — CID 174185825

IUPAC5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
SMILESO=C(O)N1CC2CC(Oc3ccccc3F)C(O)C2(O)C1
InChIInChI=1S/C14H16FNO5/c15-9-3-1-2-4-10(9)21-11-5-8-6-16(13(18)19)7-14(8,20)12(11)17/h1-4,8,11-12,17,20H,5-7H2,(H,18,19)
InChIKeyVIYZBLYPNZAAHS-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.68
Rot. Bonds2

About 5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid

5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid (PubChem CID 174185825) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
PubChem CID174185825
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
SMILESO=C(O)N1CC2CC(Oc3ccccc3F)C(O)C2(O)C1
InChIInChI=1S/C14H16FNO5/c15-9-3-1-2-4-10(9)21-11-5-8-6-16(13(18)19)7-14(8,20)12(11)17/h1-4,8,11-12,17,20H,5-7H2,(H,18,19)
InChIKeyVIYZBLYPNZAAHS-UHFFFAOYSA-N
XLogP0.68
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid with MolForge

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Related Compounds

(3aS,4S,5S,6aR)-5-(2-fluorophenoxy)-2-[2-hydroxy-2-(5-hydroxy-2-pyridinyl)ethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a,4-diol
CID 171735697
(3aS,4S,5S,6aR)-5-(2-fluorophenoxy)-2-[(2S)-2-hydroxy-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a,4-diol
CID 170560920
2-(2-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 82239796
(2-fluorophenyl) 3-aminoazetidine-1-carboxylate
CID 83820757
(3aR,4R,5R,6aS)-2-[(2S)-2-(6-fluoro-5-phenylmethoxy-2-pyridinyl)-2-hydroxyethyl]-5-phenoxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a,4-diol
CID 170558498
3-(2,3,6-trifluorophenoxy)azetidine-1-carboxylic acid
CID 134521650
(2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid
CID 54194980
2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 62704875
4-(2-formylphenoxy)-3-(trifluoromethyl)piperidine-1-carboxylic acid
CID 174806304
1-[(3aS,4S,6aR)-4-(2-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-pyrrolidin-1-ylethanone
CID 110109807
5-[(1S)-2-[(3aS,4S,5S,6aR)-3a,4-dihydroxy-5-phenoxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one;5-[(1R)-2-[(3aS,4S,5S,6aR)-3a,4-dihydroxy-5-phenoxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one;5-[(1S)-2-[(3aR,4R,5R,6aS)-3a,4-dihydroxy-5-phenoxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one;5-[(1R)-2-[(3aR,4R,5R,6aS)-3a,4-dihydroxy-5-phenoxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-1,3-dihydroindol-2-one
CID 174185886
(1R,2S,3R,5R)-3-amino-2-(4-benzylpiperidin-1-yl)-5-(2-fluorophenoxy)cyclopentan-1-ol
CID 110155488

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid?
The IUPAC name of 5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid (CID 174185825) is 5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid is O=C(O)N1CC2CC(Oc3ccccc3F)C(O)C2(O)C1.
What is the InChIKey of 5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid?
The InChIKey is VIYZBLYPNZAAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO5/c15-9-3-1-2-4-10(9)21-11-5-8-6-16(13(18)19)7-14(8,20)12(11)17/h1-4,8,11-12,17,20H,5-7H2,(H,18,19).
What are the key properties of 5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid?
5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid has a molecular weight of 297.28 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenoxy)-3a,4-dihydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid is sourced from PubChem (CID 174185825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).