2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid

C15H18FNO2 — CID 113336310

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1CN1CC2CCCC2C1
InChIInChI=1S/C15H18FNO2/c16-13-5-4-12(14(6-13)15(18)19)9-17-7-10-2-1-3-11(10)8-17/h4-6,10-11H,1-3,7-9H2,(H,18,19)
InChIKeyUMFQCXCRSUIOSB-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.76
Rot. Bonds3

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid (PubChem CID 113336310) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid
PubChem CID113336310
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1CN1CC2CCCC2C1
InChIInChI=1S/C15H18FNO2/c16-13-5-4-12(14(6-13)15(18)19)9-17-7-10-2-1-3-11(10)8-17/h4-6,10-11H,1-3,7-9H2,(H,18,19)
InChIKeyUMFQCXCRSUIOSB-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid with MolForge

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Related Compounds

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2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-5-fluorobenzoic acid
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5-fluoro-2-[(2-methylmorpholin-4-yl)methyl]benzoic acid
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CID 79935111
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carboxylic acid
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2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2,5-difluorophenyl)ethanone
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CID 63620210
5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid
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2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-4-fluorobenzoic acid
CID 107907906
1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
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1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid (CID 113336310) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1CN1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid?
The InChIKey is UMFQCXCRSUIOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-13-5-4-12(14(6-13)15(18)19)9-17-7-10-2-1-3-11(10)8-17/h4-6,10-11H,1-3,7-9H2,(H,18,19).
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid has a molecular weight of 263.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid is sourced from PubChem (CID 113336310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).