1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid

C14H19NO2 — CID 114993767

IUPAC1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid
SMILESCc1ccccc1N(C)C1(C(=O)O)CCCC1
InChIInChI=1S/C14H19NO2/c1-11-7-3-4-8-12(11)15(2)14(13(16)17)9-5-6-10-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,16,17)
InChIKeyLUSATPGHQJEAEQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.83
Rot. Bonds3

About 1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid

1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid (PubChem CID 114993767) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid
PubChem CID114993767
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid
SMILESCc1ccccc1N(C)C1(C(=O)O)CCCC1
InChIInChI=1S/C14H19NO2/c1-11-7-3-4-8-12(11)15(2)14(13(16)17)9-5-6-10-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,16,17)
InChIKeyLUSATPGHQJEAEQ-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(N-methylanilino)cyclopentane-1-carboxylic acid
CID 114988662
1-[methyl-(2-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62097503
1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 82620047
8-(aminomethyl)-N-methyl-N-(2-methylphenyl)spiro[4.5]decan-8-amine
CID 114818114
1-amino-2-[2-(N,2-dimethylanilino)ethyl]cyclopentane-1-carboxylic acid
CID 79564083
N,2-dimethyl-N-(1,2,2-trimethylcyclopropyl)aniline
CID 166727100
1-(aminomethyl)-N-methyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 80587931
1-[(2-iodobenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539755
1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid
CID 114990412
N-[2-(1-aminocyclopentyl)ethyl]-N,2-dimethylaniline
CID 64680990
hexane;methyl-(2-methylphenyl)carbamic acid
CID 174980979
4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115293105

Frequently Asked Questions

What is the IUPAC name of 1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid (CID 114993767) is 1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid is Cc1ccccc1N(C)C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid?
The InChIKey is LUSATPGHQJEAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-7-3-4-8-12(11)15(2)14(13(16)17)9-5-6-10-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,16,17).
What are the key properties of 1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid?
1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114993767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).