2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid

C16H22N2O3 — CID 103978190

IUPAC2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(C)Cc1cccc(NC(=O)C2CCCC2C(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-18(2)10-11-5-3-6-12(9-11)17-15(19)13-7-4-8-14(13)16(20)21/h3,5-6,9,13-14H,4,7-8,10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyXEQXLGPCELWSEN-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.19
Rot. Bonds5

About 2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid

2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978190) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978190
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCN(C)Cc1cccc(NC(=O)C2CCCC2C(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-18(2)10-11-5-3-6-12(9-11)17-15(19)13-7-4-8-14(13)16(20)21/h3,5-6,9,13-14H,4,7-8,10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyXEQXLGPCELWSEN-UHFFFAOYSA-N
XLogP2.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[(3-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 844851
trans-(1S,2S)-2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 792081
N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 113415137
2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941731
2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977967
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119852810
3-[[(1R,2R)-2-carboxycyclohexanecarbonyl]amino]benzoic acid
CID 761879
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
cis-(1S,2R)-2-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 42561915
trans-(1R,2R)-2-[(3-ethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 41228503
2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390366

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 103978190) is 2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid is CN(C)Cc1cccc(NC(=O)C2CCCC2C(=O)O)c1.
What is the InChIKey of 2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is XEQXLGPCELWSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(2)10-11-5-3-6-12(9-11)17-15(19)13-7-4-8-14(13)16(20)21/h3,5-6,9,13-14H,4,7-8,10H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).