2-(4-carbamoyl-2-fluoroanilino)cyclopentane-1-carboxylic acid

C13H15FN2O3 — CID 64817621

IUPAC2-(4-carbamoyl-2-fluoroanilino)cyclopentane-1-carboxylic acid
SMILESNC(=O)c1ccc(NC2CCCC2C(=O)O)c(F)c1
InChIInChI=1S/C13H15FN2O3/c14-9-6-7(12(15)17)4-5-11(9)16-10-3-1-2-8(10)13(18)19/h4-6,8,10,16H,1-3H2,(H2,15,17)(H,18,19)
InChIKeyOHIUUEFCOWQIMR-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.59
Rot. Bonds4

About 2-(4-carbamoyl-2-fluoroanilino)cyclopentane-1-carboxylic acid

2-(4-carbamoyl-2-fluoroanilino)cyclopentane-1-carboxylic acid (PubChem CID 64817621) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-(4-carbamoyl-2-fluoroanilino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-carbamoyl-2-fluoroanilino)cyclopentane-1-carboxylic acid
PubChem CID64817621
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-(4-carbamoyl-2-fluoroanilino)cyclopentane-1-carboxylic acid
SMILESNC(=O)c1ccc(NC2CCCC2C(=O)O)c(F)c1
InChIInChI=1S/C13H15FN2O3/c14-9-6-7(12(15)17)4-5-11(9)16-10-3-1-2-8(10)13(18)19/h4-6,8,10,16H,1-3H2,(H2,15,17)(H,18,19)
InChIKeyOHIUUEFCOWQIMR-UHFFFAOYSA-N
XLogP1.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Aminobenzoyl)-beta-alanine
CID 719629
NCGC00381082-01_C15H17NO3_4,6-Octadienoic acid, 3-[(4-formylphenyl)amino]-, (4E,6E)-
CID 44715282
2-((3-Fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methylpropanoic acid
CID 67106897
4-[(4-Aminobenzoyl)amino]butanoic acid
CID 255979
5-(4-Dimethylaminobenzoyl)aminovaleric acid
CID 10563578
6-[[4-(Dimethylamino)benzoyl]amino]hexanoic acid
CID 23092260
2-((4-Carbamoylphenyl)amino)acetic acid
CID 4366776
7-(4-(Dimethylamino)benzamido)heptanoic acid
CID 10541690
4-[[4-(Dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
8-[[4-(Dimethylamino)benzoyl]amino]octanoic acid
CID 10709803
3-[[4-(Hexadecylamino)benzoyl]amino]propanoic acid
CID 44279786
3-(4-Piperazin-1-yl-benzoylamino)-propionic acid
CID 44381942

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoyl-2-fluoroanilino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4-carbamoyl-2-fluoroanilino)cyclopentane-1-carboxylic acid (CID 64817621) is 2-(4-carbamoyl-2-fluoroanilino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4-carbamoyl-2-fluoroanilino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4-carbamoyl-2-fluoroanilino)cyclopentane-1-carboxylic acid is NC(=O)c1ccc(NC2CCCC2C(=O)O)c(F)c1.
What is the InChIKey of 2-(4-carbamoyl-2-fluoroanilino)cyclopentane-1-carboxylic acid?
The InChIKey is OHIUUEFCOWQIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-9-6-7(12(15)17)4-5-11(9)16-10-3-1-2-8(10)13(18)19/h4-6,8,10,16H,1-3H2,(H2,15,17)(H,18,19).
What are the key properties of 2-(4-carbamoyl-2-fluoroanilino)cyclopentane-1-carboxylic acid?
2-(4-carbamoyl-2-fluoroanilino)cyclopentane-1-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoyl-2-fluoroanilino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).