2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid

C15H18N2O2 — CID 64701166

IUPAC2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid
SMILESCc1ccc(C#N)c(NC2(CC(=O)O)CCCC2)c1
InChIInChI=1S/C15H18N2O2/c1-11-4-5-12(10-16)13(8-11)17-15(9-14(18)19)6-2-3-7-15/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeySTXGGVYXBZAHOS-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.07
Rot. Bonds4

About 2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid

2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid (PubChem CID 64701166) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid
PubChem CID64701166
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid
SMILESCc1ccc(C#N)c(NC2(CC(=O)O)CCCC2)c1
InChIInChI=1S/C15H18N2O2/c1-11-4-5-12(10-16)13(8-11)17-15(9-14(18)19)6-2-3-7-15/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeySTXGGVYXBZAHOS-UHFFFAOYSA-N
XLogP3.07
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-chloro-2-cyanoanilino)cyclobutyl]acetic acid
CID 79846241
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-4-methylbenzonitrile
CID 106299844
2-[1-(4-methyl-2-nitroanilino)cyclohexyl]acetic acid
CID 64700603
4-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]benzonitrile
CID 63083467
2-[1-(4-cyanoanilino)cyclopentyl]acetic acid
CID 64701364
4-bromo-2-[[1-(hydroxymethyl)cyclohexyl]amino]benzonitrile
CID 114905281
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64699643
2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845476
2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid
CID 64700995
2-[1-(4-cyanoanilino)cyclobutyl]acetic acid
CID 79845517
2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile
CID 83110072

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid (CID 64701166) is 2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid is Cc1ccc(C#N)c(NC2(CC(=O)O)CCCC2)c1.
What is the InChIKey of 2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid?
The InChIKey is STXGGVYXBZAHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-4-5-12(10-16)13(8-11)17-15(9-14(18)19)6-2-3-7-15/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,18,19).
What are the key properties of 2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid?
2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyano-5-methylanilino)cyclopentyl]acetic acid is sourced from PubChem (CID 64701166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).