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

C25H27NO2 — CID 70916307

IUPAC2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
SMILESC[C@@H](NC1CC[C@@H](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-WQHYPHNRSA-N
MW373.50 g/mol
LogP5.45
Rot. Bonds6

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

2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid (PubChem CID 70916307) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
PubChem CID70916307
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid
SMILESC[C@@H](NC1CC[C@@H](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-WQHYPHNRSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid (CID 70916307) is 2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid is C[C@@H](NC1CC[C@@H](c2cccc(CC(=O)O)c2)C1)c1cccc2ccccc12.
What is the InChIKey of 2-[3-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid?
The InChIKey is NERBENPTEHVBOM-WQHYPHNRSA-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-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid?
2-[3-[(1R)-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-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenyl]acetic acid is sourced from PubChem (CID 70916307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).