2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid

C25H27NO2 — CID 67296554

IUPAC2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
SMILESC[C@@H](NC1CCC(c2cccc(CC(=O)O)c2)C1)c1cccc2ccccc12
InChIInChI=1S/C25H27NO2/c1-17(23-11-5-8-19-7-2-3-10-24(19)23)26-22-13-12-21(16-22)20-9-4-6-18(14-20)15-25(27)28/h2-11,14,17,21-22,26H,12-13,15-16H2,1H3,(H,27,28)/t17-,21?,22?/m1/s1
InChIKeyNERBENPTEHVBOM-PPNDLDFTSA-N
MW373.50 g/mol
LogP5.45
Rot. Bonds6

About 2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid

2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid (PubChem CID 67296554) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
PubChem CID67296554
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
SMILESC[C@@H](NC1CCC(c2cccc(CC(=O)O)c2)C1)c1cccc2ccccc12
InChIInChI=1S/C25H27NO2/c1-17(23-11-5-8-19-7-2-3-10-24(19)23)26-22-13-12-21(16-22)20-9-4-6-18(14-20)15-25(27)28/h2-11,14,17,21-22,26H,12-13,15-16H2,1H3,(H,27,28)/t17-,21?,22?/m1/s1
InChIKeyNERBENPTEHVBOM-PPNDLDFTSA-N
XLogP5.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid with MolForge

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Related Compounds

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-[4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]acetic acid
CID 59617292
ethyl 3-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]propanoate
CID 68781120
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-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenyl]propanoic acid
CID 68783057
2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid
CID 147632875
2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid
CID 143943984
2-[(1S)-6-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 175139203
cis-(1S,3R)-3-[3-(C,N-dimethylcarbonimidoyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine
CID 88918861
N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
CID 158787446

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid (CID 67296554) is 2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid is C[C@@H](NC1CCC(c2cccc(CC(=O)O)c2)C1)c1cccc2ccccc12.
What is the InChIKey of 2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid?
The InChIKey is NERBENPTEHVBOM-PPNDLDFTSA-N. The full InChI is InChI=1S/C25H27NO2/c1-17(23-11-5-8-19-7-2-3-10-24(19)23)26-22-13-12-21(16-22)20-9-4-6-18(14-20)15-25(27)28/h2-11,14,17,21-22,26H,12-13,15-16H2,1H3,(H,27,28)/t17-,21?,22?/m1/s1.
What are the key properties of 2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid?
2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid has a molecular weight of 373.50 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid is sourced from PubChem (CID 67296554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).