4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid

C24H25NO2 — CID 68781148

IUPAC4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
SMILESCC(NC1CCC(c2ccc(C(=O)O)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C24H25NO2/c1-16(22-8-4-6-18-5-2-3-7-23(18)22)25-21-14-13-20(15-21)17-9-11-19(12-10-17)24(26)27/h2-12,16,20-21,25H,13-15H2,1H3,(H,26,27)
InChIKeyRVOJEPPTKATVSU-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.52
Rot. Bonds5

About 4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid

4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid (PubChem CID 68781148) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid.

Molecular Properties

Compound Name4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
PubChem CID68781148
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
SMILESCC(NC1CCC(c2ccc(C(=O)O)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C24H25NO2/c1-16(22-8-4-6-18-5-2-3-7-23(18)22)25-21-14-13-20(15-21)17-9-11-19(12-10-17)24(26)27/h2-12,16,20-21,25H,13-15H2,1H3,(H,26,27)
InChIKeyRVOJEPPTKATVSU-UHFFFAOYSA-N
XLogP5.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339
3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid
CID 68783057
2-hydroxy-3-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]propanoic acid
CID 141396243
2-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]propanoyl chloride
CID 142764374
2-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]-2-phenylacetic acid
CID 59617228
N-hydroxy-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 42624000
N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 141396256
methyl 3-[[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoyl]amino]propanoate
CID 68779930
2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
CID 67296554
2-[4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]acetic acid
CID 59617292
2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
CID 70916307
N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide
CID 59617302

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid?
The IUPAC name of 4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid (CID 68781148) is 4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid.
What is the SMILES notation for 4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid?
The canonical SMILES for 4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid is CC(NC1CCC(c2ccc(C(=O)O)cc2)C1)c1cccc2ccccc12.
What is the InChIKey of 4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid?
The InChIKey is RVOJEPPTKATVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-16(22-8-4-6-18-5-2-3-7-23(18)22)25-21-14-13-20(15-21)17-9-11-19(12-10-17)24(26)27/h2-12,16,20-21,25H,13-15H2,1H3,(H,26,27).
What are the key properties of 4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid?
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid has a molecular weight of 359.47 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid is sourced from PubChem (CID 68781148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).