2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid

C13H17FN2O3 — CID 79513291

IUPAC2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid
SMILESCCCC(CNc1cccc(F)c1C(N)=O)C(=O)O
InChIInChI=1S/C13H17FN2O3/c1-2-4-8(13(18)19)7-16-10-6-3-5-9(14)11(10)12(15)17/h3,5-6,8,16H,2,4,7H2,1H3,(H2,15,17)(H,18,19)
InChIKeyHNIYABNKYVQCMZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.84
Rot. Bonds7

About 2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid

2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid (PubChem CID 79513291) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid
PubChem CID79513291
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid
SMILESCCCC(CNc1cccc(F)c1C(N)=O)C(=O)O
InChIInChI=1S/C13H17FN2O3/c1-2-4-8(13(18)19)7-16-10-6-3-5-9(14)11(10)12(15)17/h3,5-6,8,16H,2,4,7H2,1H3,(H2,15,17)(H,18,19)
InChIKeyHNIYABNKYVQCMZ-UHFFFAOYSA-N
XLogP1.84
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-carbamoyl-3-fluoroanilino)methyl]butanoic acid
CID 79513210
2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide
CID 79521990
2-(1-aminopentan-2-ylamino)-6-fluorobenzamide
CID 79522229
5-(2-carbamoyl-3-fluoroanilino)-2-methylpentanoic acid
CID 104683255
2-(2,3-dihydroxypropylamino)-6-fluorobenzamide
CID 168593553
2-(2-carbamoyl-3-fluoroanilino)-2-methylpentanoic acid
CID 79512716
N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide
CID 82985432
2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid
CID 79522672
ethyl 3-(2-carbamoyl-3-fluoroanilino)propanoate
CID 79512517
2-(2-carbamoyl-3-fluoroanilino)-5-methoxypentanoic acid
CID 81078963
2-fluoro-6-(propylamino)benzoic acid
CID 79522268
2-(2-carboxypentylamino)-4-chlorobenzoic acid
CID 21251990

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid?
The IUPAC name of 2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid (CID 79513291) is 2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid?
The canonical SMILES for 2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid is CCCC(CNc1cccc(F)c1C(N)=O)C(=O)O.
What is the InChIKey of 2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid?
The InChIKey is HNIYABNKYVQCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-2-4-8(13(18)19)7-16-10-6-3-5-9(14)11(10)12(15)17/h3,5-6,8,16H,2,4,7H2,1H3,(H2,15,17)(H,18,19).
What are the key properties of 2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid?
2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid has a molecular weight of 268.29 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid is sourced from PubChem (CID 79513291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).