2-[1-(4-aminophenyl)cyclopentyl]acetic acid

C13H17NO2 — CID 21077926

IUPAC2-[1-(4-aminophenyl)cyclopentyl]acetic acid
SMILESNc1ccc(C2(CC(=O)O)CCCC2)cc1
InChIInChI=1S/C13H17NO2/c14-11-5-3-10(4-6-11)13(9-12(15)16)7-1-2-8-13/h3-6H,1-2,7-9,14H2,(H,15,16)
InChIKeyAEWYHJOQVPOZHT-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.56
Rot. Bonds3

About 2-[1-(4-aminophenyl)cyclopentyl]acetic acid

2-[1-(4-aminophenyl)cyclopentyl]acetic acid (PubChem CID 21077926) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[1-(4-aminophenyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-aminophenyl)cyclopentyl]acetic acid
PubChem CID21077926
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[1-(4-aminophenyl)cyclopentyl]acetic acid
SMILESNc1ccc(C2(CC(=O)O)CCCC2)cc1
InChIInChI=1S/C13H17NO2/c14-11-5-3-10(4-6-11)13(9-12(15)16)7-1-2-8-13/h3-6H,1-2,7-9,14H2,(H,15,16)
InChIKeyAEWYHJOQVPOZHT-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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-[1-(4-aminophenyl)cyclobutyl]acetic acid
CID 21077925
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
2-[1-[4-(cyanomethyl)phenyl]cyclohexyl]acetic acid
CID 154100557
2-[1-(3-bromophenyl)cyclopentyl]acetic acid
CID 68971554
4-[1-[(dimethylamino)methyl]cyclopentyl]aniline
CID 115030998
2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64700742
2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid
CID 82087894
2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787396
2-oxo-3-(1-phenylcyclohexyl)propanoic acid
CID 18551192
2-[1-[4-(difluoromethylsulfanyl)phenyl]cyclopropyl]acetic acid
CID 117399175
2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid
CID 117344925
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminophenyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(4-aminophenyl)cyclopentyl]acetic acid (CID 21077926) is 2-[1-(4-aminophenyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(4-aminophenyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(4-aminophenyl)cyclopentyl]acetic acid is Nc1ccc(C2(CC(=O)O)CCCC2)cc1.
What is the InChIKey of 2-[1-(4-aminophenyl)cyclopentyl]acetic acid?
The InChIKey is AEWYHJOQVPOZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c14-11-5-3-10(4-6-11)13(9-12(15)16)7-1-2-8-13/h3-6H,1-2,7-9,14H2,(H,15,16).
What are the key properties of 2-[1-(4-aminophenyl)cyclopentyl]acetic acid?
2-[1-(4-aminophenyl)cyclopentyl]acetic acid has a molecular weight of 219.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminophenyl)cyclopentyl]acetic acid is sourced from PubChem (CID 21077926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).