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

C13H14N2O2 — CID 79845517

IUPAC2-[1-(4-cyanoanilino)cyclobutyl]acetic acid
SMILESN#Cc1ccc(NC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C13H14N2O2/c14-9-10-2-4-11(5-3-10)15-13(6-1-7-13)8-12(16)17/h2-5,15H,1,6-8H2,(H,16,17)
InChIKeyHGBOPKIWCMERRW-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.37
Rot. Bonds4

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

2-[1-(4-cyanoanilino)cyclobutyl]acetic acid (PubChem CID 79845517) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[1-(4-cyanoanilino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-cyanoanilino)cyclobutyl]acetic acid
PubChem CID79845517
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-[1-(4-cyanoanilino)cyclobutyl]acetic acid
SMILESN#Cc1ccc(NC2(CC(=O)O)CCC2)cc1
InChIInChI=1S/C13H14N2O2/c14-9-10-2-4-11(5-3-10)15-13(6-1-7-13)8-12(16)17/h2-5,15H,1,6-8H2,(H,16,17)
InChIKeyHGBOPKIWCMERRW-UHFFFAOYSA-N
XLogP2.37
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-cyanoanilino)cyclopentyl]acetic acid
CID 64701364
2-[1-(4-nitroanilino)cyclobutyl]acetic acid
CID 79845223
4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile
CID 63889602
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62522293
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea
CID 62520959
1-(4-cyanoanilino)cyclopropane-1-carboxylic acid
CID 65451444
2-[1-(5-chloro-2-cyanoanilino)cyclobutyl]acetic acid
CID 79846241
1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619734
4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]benzonitrile
CID 62525674
1-[(4-cyanophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55035312
2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid
CID 64700995
2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid
CID 64701166

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyanoanilino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(4-cyanoanilino)cyclobutyl]acetic acid (CID 79845517) is 2-[1-(4-cyanoanilino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(4-cyanoanilino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(4-cyanoanilino)cyclobutyl]acetic acid is N#Cc1ccc(NC2(CC(=O)O)CCC2)cc1.
What is the InChIKey of 2-[1-(4-cyanoanilino)cyclobutyl]acetic acid?
The InChIKey is HGBOPKIWCMERRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-9-10-2-4-11(5-3-10)15-13(6-1-7-13)8-12(16)17/h2-5,15H,1,6-8H2,(H,16,17).
What are the key properties of 2-[1-(4-cyanoanilino)cyclobutyl]acetic acid?
2-[1-(4-cyanoanilino)cyclobutyl]acetic acid has a molecular weight of 230.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyanoanilino)cyclobutyl]acetic acid is sourced from PubChem (CID 79845517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).