2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid

C26H29NO3 — CID 143943984

IUPAC2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid
SMILESCc1cc([C@@H]2CCC(N[C@H](C)c3cccc4ccccc34)C2)ccc1OCC(=O)O
InChIInChI=1S/C26H29NO3/c1-17-14-20(11-13-25(17)30-16-26(28)29)21-10-12-22(15-21)27-18(2)23-9-5-7-19-6-3-4-8-24(19)23/h3-9,11,13-14,18,21-22,27H,10,12,15-16H2,1-2H3,(H,28,29)/t18-,21-,22?/m1/s1
InChIKeyQFNHWVKFGUQSFA-QOCBGMSTSA-N
MW403.52 g/mol
LogP5.60
Rot. Bonds7

About 2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid

2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid (PubChem CID 143943984) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid
PubChem CID143943984
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid
SMILESCc1cc([C@@H]2CCC(N[C@H](C)c3cccc4ccccc34)C2)ccc1OCC(=O)O
InChIInChI=1S/C26H29NO3/c1-17-14-20(11-13-25(17)30-16-26(28)29)21-10-12-22(15-21)27-18(2)23-9-5-7-19-6-3-4-8-24(19)23/h3-9,11,13-14,18,21-22,27H,10,12,15-16H2,1-2H3,(H,28,29)/t18-,21-,22?/m1/s1
InChIKeyQFNHWVKFGUQSFA-QOCBGMSTSA-N
XLogP5.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid with MolForge

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Related Compounds

ethyl 2-[2-fluoro-4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetate
CID 67296309
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
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-[(1S)-6-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 175139203
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
ethyl 2-[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]anilino]acetate
CID 77261600
2-[4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]acetic acid
CID 59617292
2-[4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]propanoyl chloride
CID 142764374

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid (CID 143943984) is 2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid is Cc1cc([C@@H]2CCC(N[C@H](C)c3cccc4ccccc34)C2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid?
The InChIKey is QFNHWVKFGUQSFA-QOCBGMSTSA-N. The full InChI is InChI=1S/C26H29NO3/c1-17-14-20(11-13-25(17)30-16-26(28)29)21-10-12-22(15-21)27-18(2)23-9-5-7-19-6-3-4-8-24(19)23/h3-9,11,13-14,18,21-22,27H,10,12,15-16H2,1-2H3,(H,28,29)/t18-,21-,22?/m1/s1.
What are the key properties of 2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid?
2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid has a molecular weight of 403.52 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid is sourced from PubChem (CID 143943984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).