(2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid

C20H29NO3 — CID 67469384

IUPAC(2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid
SMILESCNC1CCC(c2ccccc2[C@@](O)(C(=O)O)C2CCCC2)CC1
InChIInChI=1S/C20H29NO3/c1-21-16-12-10-14(11-13-16)17-8-4-5-9-18(17)20(24,19(22)23)15-6-2-3-7-15/h4-5,8-9,14-16,21,24H,2-3,6-7,10-13H2,1H3,(H,22,23)/t14?,16?,20-/m1/s1
InChIKeyDWZVMTWVSKZHIY-QJXPYNDKSA-N
MW331.46 g/mol
LogP3.39
Rot. Bonds5

About (2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid

(2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid (PubChem CID 67469384) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid
PubChem CID67469384
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name(2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid
SMILESCNC1CCC(c2ccccc2[C@@](O)(C(=O)O)C2CCCC2)CC1
InChIInChI=1S/C20H29NO3/c1-21-16-12-10-14(11-13-16)17-8-4-5-9-18(17)20(24,19(22)23)15-6-2-3-7-15/h4-5,8-9,14-16,21,24H,2-3,6-7,10-13H2,1H3,(H,22,23)/t14?,16?,20-/m1/s1
InChIKeyDWZVMTWVSKZHIY-QJXPYNDKSA-N
XLogP3.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-2-hydroxy-2-[2-(1-methylpyrrolidin-3-yl)phenyl]acetic acid
CID 121438093
2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 56924194
2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 83725276
2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid
CID 18922154
2-(2-cyclohexylphenyl)propan-2-yl hydrogen carbonate
CID 67161464
(2R)-2-[2-[4-[2-[(2-chloro-4-formyl-5-methoxyphenyl)carbamoyloxy]ethyl-methylamino]cyclohexyl]phenyl]-2-cyclopentyl-2-hydroxyacetic acid
CID 89437193
1-cyclohexyl-1-hydroxy-1-(2-iodophenyl)propan-2-one
CID 123725623
2-cyclopentyl-2-hydroxy-2-phenylacetohydrazide
CID 71945316
2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid
CID 18922125
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
CID 66989831
CID 66989831
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid?
The IUPAC name of (2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid (CID 67469384) is (2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid.
What is the SMILES notation for (2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid?
The canonical SMILES for (2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid is CNC1CCC(c2ccccc2[C@@](O)(C(=O)O)C2CCCC2)CC1.
What is the InChIKey of (2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid?
The InChIKey is DWZVMTWVSKZHIY-QJXPYNDKSA-N. The full InChI is InChI=1S/C20H29NO3/c1-21-16-12-10-14(11-13-16)17-8-4-5-9-18(17)20(24,19(22)23)15-6-2-3-7-15/h4-5,8-9,14-16,21,24H,2-3,6-7,10-13H2,1H3,(H,22,23)/t14?,16?,20-/m1/s1.
What are the key properties of (2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid?
(2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid has a molecular weight of 331.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-2-hydroxy-2-[2-[4-(methylamino)cyclohexyl]phenyl]acetic acid is sourced from PubChem (CID 67469384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).