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

C12H15NO2 — CID 21077925

IUPAC2-[1-(4-aminophenyl)cyclobutyl]acetic acid
SMILESNc1ccc(C2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C12H15NO2/c13-10-4-2-9(3-5-10)12(6-1-7-12)8-11(14)15/h2-5H,1,6-8,13H2,(H,14,15)
InChIKeyRLCGJWDXFBDLBP-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.17
Rot. Bonds3

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

2-[1-(4-aminophenyl)cyclobutyl]acetic acid (PubChem CID 21077925) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[1-(4-aminophenyl)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-aminophenyl)cyclobutyl]acetic acid
PubChem CID21077925
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-[1-(4-aminophenyl)cyclobutyl]acetic acid
SMILESNc1ccc(C2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C12H15NO2/c13-10-4-2-9(3-5-10)12(6-1-7-12)8-11(14)15/h2-5H,1,6-8,13H2,(H,14,15)
InChIKeyRLCGJWDXFBDLBP-UHFFFAOYSA-N
XLogP2.17
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.17
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)cyclopentyl]acetic acid
CID 21077926
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
2-[1-[4-(cyanomethyl)phenyl]cyclohexyl]acetic acid
CID 154100557
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787396
2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid
CID 66748836
2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid
CID 117344925
2-[1-(3-bromophenyl)cyclopentyl]acetic acid
CID 68971554
2-[1-[4-(difluoromethylsulfanyl)phenyl]cyclopropyl]acetic acid
CID 117399175
2-[1-(4-aminophenyl)cyclobutyl]butanoic acid
CID 91543676
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375
2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid
CID 117373943

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminophenyl)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(4-aminophenyl)cyclobutyl]acetic acid (CID 21077925) is 2-[1-(4-aminophenyl)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(4-aminophenyl)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(4-aminophenyl)cyclobutyl]acetic acid is Nc1ccc(C2(CC(=O)O)CCC2)cc1.
What is the InChIKey of 2-[1-(4-aminophenyl)cyclobutyl]acetic acid?
The InChIKey is RLCGJWDXFBDLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-10-4-2-9(3-5-10)12(6-1-7-12)8-11(14)15/h2-5H,1,6-8,13H2,(H,14,15).
What are the key properties of 2-[1-(4-aminophenyl)cyclobutyl]acetic acid?
2-[1-(4-aminophenyl)cyclobutyl]acetic acid has a molecular weight of 205.26 g/mol, XLogP of 2.17, 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)cyclobutyl]acetic acid is sourced from PubChem (CID 21077925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).