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

C14H16N2O2 — CID 64701364

IUPAC2-[1-(4-cyanoanilino)cyclopentyl]acetic acid
SMILESN#Cc1ccc(NC2(CC(=O)O)CCCC2)cc1
InChIInChI=1S/C14H16N2O2/c15-10-11-3-5-12(6-4-11)16-14(9-13(17)18)7-1-2-8-14/h3-6,16H,1-2,7-9H2,(H,17,18)
InChIKeyOCOZWMMBHYWQRU-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.76
Rot. Bonds4

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

2-[1-(4-cyanoanilino)cyclopentyl]acetic acid (PubChem CID 64701364) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[1-(4-cyanoanilino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-cyanoanilino)cyclopentyl]acetic acid
PubChem CID64701364
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[1-(4-cyanoanilino)cyclopentyl]acetic acid
SMILESN#Cc1ccc(NC2(CC(=O)O)CCCC2)cc1
InChIInChI=1S/C14H16N2O2/c15-10-11-3-5-12(6-4-11)16-14(9-13(17)18)7-1-2-8-14/h3-6,16H,1-2,7-9H2,(H,17,18)
InChIKeyOCOZWMMBHYWQRU-UHFFFAOYSA-N
XLogP2.76
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-cyanoanilino)cyclobutyl]acetic acid
CID 79845517
4-[[1-(aminomethyl)cyclopentyl]amino]benzonitrile
CID 63889602
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62522293
2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid
CID 64701158
2-[1-(4-nitroanilino)cyclobutyl]acetic acid
CID 79845223
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea
CID 62520959
1-(4-cyanoanilino)cyclopropane-1-carboxylic acid
CID 65451444
2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid
CID 64700995
2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid
CID 64701166
4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]benzonitrile
CID 62525674
2-[1-(5-chloro-2-cyanoanilino)cyclobutyl]acetic acid
CID 79846241
1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea
CID 61300035

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyanoanilino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(4-cyanoanilino)cyclopentyl]acetic acid (CID 64701364) is 2-[1-(4-cyanoanilino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(4-cyanoanilino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(4-cyanoanilino)cyclopentyl]acetic acid is N#Cc1ccc(NC2(CC(=O)O)CCCC2)cc1.
What is the InChIKey of 2-[1-(4-cyanoanilino)cyclopentyl]acetic acid?
The InChIKey is OCOZWMMBHYWQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-10-11-3-5-12(6-4-11)16-14(9-13(17)18)7-1-2-8-14/h3-6,16H,1-2,7-9H2,(H,17,18).
What are the key properties of 2-[1-(4-cyanoanilino)cyclopentyl]acetic acid?
2-[1-(4-cyanoanilino)cyclopentyl]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 2.76, 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)cyclopentyl]acetic acid is sourced from PubChem (CID 64701364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).