5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid

C13H15F2NO3 — CID 54874892

IUPAC5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid
SMILESCN(Cc1ccc(F)cc1F)C(=O)CCCC(=O)O
InChIInChI=1S/C13H15F2NO3/c1-16(12(17)3-2-4-13(18)19)8-9-5-6-10(14)7-11(9)15/h5-7H,2-4,8H2,1H3,(H,18,19)
InChIKeyRSCVNARNVZRPRG-UHFFFAOYSA-N
MW271.26 g/mol
LogP2.18
Rot. Bonds6

About 5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid

5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid (PubChem CID 54874892) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid
PubChem CID54874892
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid
SMILESCN(Cc1ccc(F)cc1F)C(=O)CCCC(=O)O
InChIInChI=1S/C13H15F2NO3/c1-16(12(17)3-2-4-13(18)19)8-9-5-6-10(14)7-11(9)15/h5-7H,2-4,8H2,1H3,(H,18,19)
InChIKeyRSCVNARNVZRPRG-UHFFFAOYSA-N
XLogP2.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid
CID 60950172
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137278099
N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 31840738
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
2-cyclopentyl-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 134046668
N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103610141
2-[carboxymethyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 63645803

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid (CID 54874892) is 5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid is CN(Cc1ccc(F)cc1F)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid?
The InChIKey is RSCVNARNVZRPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-16(12(17)3-2-4-13(18)19)8-9-5-6-10(14)7-11(9)15/h5-7H,2-4,8H2,1H3,(H,18,19).
What are the key properties of 5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid?
5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid has a molecular weight of 271.26 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 54874892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).