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

C26H29NO2 — CID 68783057

IUPAC3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid
SMILESCC(NC1CCC(c2ccc(CCC(=O)O)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C26H29NO2/c1-18(24-8-4-6-21-5-2-3-7-25(21)24)27-23-15-14-22(17-23)20-12-9-19(10-13-20)11-16-26(28)29/h2-10,12-13,18,22-23,27H,11,14-17H2,1H3,(H,28,29)
InChIKeyWBGCUCXHNLOCLP-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.84
Rot. Bonds7

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

3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid (PubChem CID 68783057) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid
PubChem CID68783057
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid
SMILESCC(NC1CCC(c2ccc(CCC(=O)O)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C26H29NO2/c1-18(24-8-4-6-21-5-2-3-7-25(21)24)27-23-15-14-22(17-23)20-12-9-19(10-13-20)11-16-26(28)29/h2-10,12-13,18,22-23,27H,11,14-17H2,1H3,(H,28,29)
InChIKeyWBGCUCXHNLOCLP-UHFFFAOYSA-N
XLogP5.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
CID 68781148
3-[4-[(1S)-3-(1-phenylethylamino)cyclopentyl]phenyl]propanoic acid
CID 143807693
2-[4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]acetic acid
CID 59617292
2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
CID 67296554
2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
CID 70916307
2-[3-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid;hydrochloride
CID 67296019
2-hydroxy-3-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]propanoic acid
CID 141396243
[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol
CID 42624182
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
ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate
CID 68781120

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid (CID 68783057) is 3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid is CC(NC1CCC(c2ccc(CCC(=O)O)cc2)C1)c1cccc2ccccc12.
What is the InChIKey of 3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid?
The InChIKey is WBGCUCXHNLOCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-18(24-8-4-6-21-5-2-3-7-25(21)24)27-23-15-14-22(17-23)20-12-9-19(10-13-20)11-16-26(28)29/h2-10,12-13,18,22-23,27H,11,14-17H2,1H3,(H,28,29).
What are the key properties of 3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid?
3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid has a molecular weight of 387.52 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid is sourced from PubChem (CID 68783057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).