5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid

C15H20FNO3 — CID 62934884

IUPAC5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCN(Cc1cccc(F)c1)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C15H20FNO3/c1-15(2,9-14(19)20)8-13(18)17(3)10-11-5-4-6-12(16)7-11/h4-7H,8-10H2,1-3H3,(H,19,20)
InChIKeyQASCHPIHGPCIJL-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.68
Rot. Bonds6

About 5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid

5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62934884) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62934884
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCN(Cc1cccc(F)c1)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C15H20FNO3/c1-15(2,9-14(19)20)8-13(18)17(3)10-11-5-4-6-12(16)7-11/h4-7H,8-10H2,1-3H3,(H,19,20)
InChIKeyQASCHPIHGPCIJL-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 86975849
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
3-[(3-fluorophenyl)methyl-methylamino]prop-2-enoic acid
CID 79889362
2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 26292160
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 78851523
N-tert-butyl-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 8767568
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide
CID 28971589
4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119267070
2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78894496
5-(3-fluorophenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 146004499

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid (CID 62934884) is 5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid is CN(Cc1cccc(F)c1)C(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is QASCHPIHGPCIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-15(2,9-14(19)20)8-13(18)17(3)10-11-5-4-6-12(16)7-11/h4-7H,8-10H2,1-3H3,(H,19,20).
What are the key properties of 5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid?
5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62934884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).