2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid

C21H19FN2O4 — CID 10271234

IUPAC2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid
SMILESNC(=O)C1CCc2c1c1c(OCC(=O)O)cccc1n2Cc1cccc(F)c1
InChIInChI=1S/C21H19FN2O4/c22-13-4-1-3-12(9-13)10-24-15-5-2-6-17(28-11-18(25)26)20(15)19-14(21(23)27)7-8-16(19)24/h1-6,9,14H,7-8,10-11H2,(H2,23,27)(H,25,26)
InChIKeyMANNPKZUADGKRT-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.81
Rot. Bonds6

About 2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid

2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid (PubChem CID 10271234) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid
PubChem CID10271234
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid
SMILESNC(=O)C1CCc2c1c1c(OCC(=O)O)cccc1n2Cc1cccc(F)c1
InChIInChI=1S/C21H19FN2O4/c22-13-4-1-3-12(9-13)10-24-15-5-2-6-17(28-11-18(25)26)20(15)19-14(21(23)27)7-8-16(19)24/h1-6,9,14H,7-8,10-11H2,(H2,23,27)(H,25,26)
InChIKeyMANNPKZUADGKRT-UHFFFAOYSA-N
XLogP2.81
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid?
The IUPAC name of 2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid (CID 10271234) is 2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid?
The canonical SMILES for 2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid is NC(=O)C1CCc2c1c1c(OCC(=O)O)cccc1n2Cc1cccc(F)c1.
What is the InChIKey of 2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid?
The InChIKey is MANNPKZUADGKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c22-13-4-1-3-12(9-13)10-24-15-5-2-6-17(28-11-18(25)26)20(15)19-14(21(23)27)7-8-16(19)24/h1-6,9,14H,7-8,10-11H2,(H2,23,27)(H,25,26).
What are the key properties of 2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid?
2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid has a molecular weight of 382.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid is sourced from PubChem (CID 10271234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).