2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid

C18H25NO3 — CID 121438093

IUPAC2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid
SMILESCN1CCC(c2ccccc2C(O)(C(=O)O)C2CCCC2)C1
InChIInChI=1S/C18H25NO3/c1-19-11-10-13(12-19)15-8-4-5-9-16(15)18(22,17(20)21)14-6-2-3-7-14/h4-5,8-9,13-14,22H,2-3,6-7,10-12H2,1H3,(H,20,21)
InChIKeyOCJYAYWKLFFXFQ-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.57
Rot. Bonds4

About 2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid

2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid (PubChem CID 121438093) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid
PubChem CID121438093
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid
SMILESCN1CCC(c2ccccc2C(O)(C(=O)O)C2CCCC2)C1
InChIInChI=1S/C18H25NO3/c1-19-11-10-13(12-19)15-8-4-5-9-16(15)18(22,17(20)21)14-6-2-3-7-14/h4-5,8-9,13-14,22H,2-3,6-7,10-12H2,1H3,(H,20,21)
InChIKeyOCJYAYWKLFFXFQ-UHFFFAOYSA-N
XLogP2.57
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid
CID 67469384
2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 56924194
2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 83725276
1-[2-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117436356
2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid
CID 18922154
(1-methylpyrrolidin-3-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 59751377
1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine
CID 59253116
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
[(3R)-1-methylpiperidin-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 118984357
(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrobromide
CID 25055664
acetic acid;(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl) (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 25056698
1-cyclopentyl-1-hydroxy-3-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-phenylpropan-2-one
CID 59842499

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid?
The IUPAC name of 2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid (CID 121438093) is 2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid?
The canonical SMILES for 2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid is CN1CCC(c2ccccc2C(O)(C(=O)O)C2CCCC2)C1.
What is the InChIKey of 2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid?
The InChIKey is OCJYAYWKLFFXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-19-11-10-13(12-19)15-8-4-5-9-16(15)18(22,17(20)21)14-6-2-3-7-14/h4-5,8-9,13-14,22H,2-3,6-7,10-12H2,1H3,(H,20,21).
What are the key properties of 2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid?
2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid has a molecular weight of 303.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid is sourced from PubChem (CID 121438093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).