1-(N-methylanilino)cyclopentane-1-carboxylic acid

C13H17NO2 — CID 114988662

IUPAC1-(N-methylanilino)cyclopentane-1-carboxylic acid
SMILESCN(c1ccccc1)C1(C(=O)O)CCCC1
InChIInChI=1S/C13H17NO2/c1-14(11-7-3-2-4-8-11)13(12(15)16)9-5-6-10-13/h2-4,7-8H,5-6,9-10H2,1H3,(H,15,16)
InChIKeyVQZJWHJFSYFEJR-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.52
Rot. Bonds3

About 1-(N-methylanilino)cyclopentane-1-carboxylic acid

1-(N-methylanilino)cyclopentane-1-carboxylic acid (PubChem CID 114988662) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(N-methylanilino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(N-methylanilino)cyclopentane-1-carboxylic acid
PubChem CID114988662
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(N-methylanilino)cyclopentane-1-carboxylic acid
SMILESCN(c1ccccc1)C1(C(=O)O)CCCC1
InChIInChI=1S/C13H17NO2/c1-14(11-7-3-2-4-8-11)13(12(15)16)9-5-6-10-13/h2-4,7-8H,5-6,9-10H2,1H3,(H,15,16)
InChIKeyVQZJWHJFSYFEJR-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(N,2-dimethylanilino)cyclopentane-1-carboxylic acid
CID 114993767
4-(N,4-dimethylanilino)oxane-4-carboxylic acid
CID 114992619
4-(N,3-dimethylanilino)oxane-4-carboxylic acid
CID 114992618
1-[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)-N-methylanilino]cyclopropane-1-carboxylic acid
CID 54012968
1-[(2-iodobenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539755
1-[methyl(pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
CID 130591579
1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 82236408
1-amino-N-methyl-N-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119261831
1-[methyl-(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 120540070
1-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentane-1-carboxylic acid
CID 114990412
1-[methyl-(2-phenacylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120539343
1-[1-benzothiophene-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120540233

Frequently Asked Questions

What is the IUPAC name of 1-(N-methylanilino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(N-methylanilino)cyclopentane-1-carboxylic acid (CID 114988662) is 1-(N-methylanilino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(N-methylanilino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(N-methylanilino)cyclopentane-1-carboxylic acid is CN(c1ccccc1)C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(N-methylanilino)cyclopentane-1-carboxylic acid?
The InChIKey is VQZJWHJFSYFEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14(11-7-3-2-4-8-11)13(12(15)16)9-5-6-10-13/h2-4,7-8H,5-6,9-10H2,1H3,(H,15,16).
What are the key properties of 1-(N-methylanilino)cyclopentane-1-carboxylic acid?
1-(N-methylanilino)cyclopentane-1-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-methylanilino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114988662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).