2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid

C13H17NO2 — CID 68683333

IUPAC2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid
SMILESNc1ccc([C@@H]2CCC(CC(=O)O)C2)cc1
InChIInChI=1S/C13H17NO2/c14-12-5-3-10(4-6-12)11-2-1-9(7-11)8-13(15)16/h3-6,9,11H,1-2,7-8,14H2,(H,15,16)/t9?,11-/m1/s1
InChIKeyYVBZQFJULWJMKZ-HCCKASOXSA-N
MW219.28 g/mol
LogP2.63
Rot. Bonds3

About 2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid

2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid (PubChem CID 68683333) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid
PubChem CID68683333
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid
SMILESNc1ccc([C@@H]2CCC(CC(=O)O)C2)cc1
InChIInChI=1S/C13H17NO2/c14-12-5-3-10(4-6-12)11-2-1-9(7-11)8-13(15)16/h3-6,9,11H,1-2,7-8,14H2,(H,15,16)/t9?,11-/m1/s1
InChIKeyYVBZQFJULWJMKZ-HCCKASOXSA-N
XLogP2.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3S)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68682784
2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid
CID 82295362
2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid
CID 82295855
2-[3-(4-methylphenyl)cyclohexyl]acetic acid
CID 3367209
2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid
CID 87555105
2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid
CID 174637513
2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid
CID 82303682
2-[4-(4-ethylphenyl)cyclohexyl]acetic acid
CID 82295361
3-methyl-1-(3-phenylcyclopentyl)butan-2-one
CID 155207615
2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid
CID 126600075
2-[(1R,3S,4R)-4-amino-3-(4-fluorophenyl)cyclohexyl]acetic acid
CID 123536470
2-[(1R,3S,4R)-4-amino-3-(4-chlorophenyl)cyclohexyl]acetic acid
CID 123983611

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid (CID 68683333) is 2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid is Nc1ccc([C@@H]2CCC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid?
The InChIKey is YVBZQFJULWJMKZ-HCCKASOXSA-N. The full InChI is InChI=1S/C13H17NO2/c14-12-5-3-10(4-6-12)11-2-1-9(7-11)8-13(15)16/h3-6,9,11H,1-2,7-8,14H2,(H,15,16)/t9?,11-/m1/s1.
What are the key properties of 2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid?
2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid has a molecular weight of 219.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid is sourced from PubChem (CID 68683333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).