2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid

C26H28O2 — CID 147632875

IUPAC2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid
SMILESC[C@@H](CC1CCC(c2cccc(CC(=O)O)c2)C1)c1cccc2ccccc12
InChIInChI=1S/C26H28O2/c1-18(24-11-5-8-21-7-2-3-10-25(21)24)14-20-12-13-23(16-20)22-9-4-6-19(15-22)17-26(27)28/h2-11,15,18,20,23H,12-14,16-17H2,1H3,(H,27,28)/t18-,20?,23?/m0/s1
InChIKeyGGBCBRNGIROBOD-QRGRWYIGSA-N
MW372.51 g/mol
LogP6.54
Rot. Bonds6

About 2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid

2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid (PubChem CID 147632875) has the molecular formula C26H28O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid
PubChem CID147632875
Molecular FormulaC26H28O2
Molecular Weight372.51 g/mol
Exact Mass372.21
IUPAC Name2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid
SMILESC[C@@H](CC1CCC(c2cccc(CC(=O)O)c2)C1)c1cccc2ccccc12
InChIInChI=1S/C26H28O2/c1-18(24-11-5-8-21-7-2-3-10-25(21)24)14-20-12-13-23(16-20)22-9-4-6-19(15-22)17-26(27)28/h2-11,15,18,20,23H,12-14,16-17H2,1H3,(H,27,28)/t18-,20?,23?/m0/s1
InChIKeyGGBCBRNGIROBOD-QRGRWYIGSA-N
XLogP6.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
CID 70916307
2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
CID 67296554
2-[3-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid;hydrochloride
CID 67296019
2-methyl-2-[3-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]propanoic acid
CID 157186963
2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid
CID 153234852
4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one
CID 149010744
carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene
CID 158857640
2-methyl-2-[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]propanoic acid
CID 161070660
5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole
CID 159923750
2-[4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]acetic acid
CID 59617292
5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole
CID 148712553
benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate
CID 58422854

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid (CID 147632875) is 2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid is C[C@@H](CC1CCC(c2cccc(CC(=O)O)c2)C1)c1cccc2ccccc12.
What is the InChIKey of 2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid?
The InChIKey is GGBCBRNGIROBOD-QRGRWYIGSA-N. The full InChI is InChI=1S/C26H28O2/c1-18(24-11-5-8-21-7-2-3-10-25(21)24)14-20-12-13-23(16-20)22-9-4-6-19(15-22)17-26(27)28/h2-11,15,18,20,23H,12-14,16-17H2,1H3,(H,27,28)/t18-,20?,23?/m0/s1.
What are the key properties of 2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid?
2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid has a molecular weight of 372.51 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid is sourced from PubChem (CID 147632875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).