5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid

C15H20FNO3 — CID 60708185

IUPAC5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
SMILESCC(C)C(NC(=O)CCCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-10(2)15(11-6-8-12(16)9-7-11)17-13(18)4-3-5-14(19)20/h6-10,15H,3-5H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyODMDQJUSEYPGNX-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.89
Rot. Bonds7

About 5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid

5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid (PubChem CID 60708185) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
PubChem CID60708185
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
SMILESCC(C)C(NC(=O)CCCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-10(2)15(11-6-8-12(16)9-7-11)17-13(18)4-3-5-14(19)20/h6-10,15H,3-5H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyODMDQJUSEYPGNX-UHFFFAOYSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 79201421
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533
4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 63307815
5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662109
6-[1-(4-fluorophenyl)ethylamino]-6-oxohexanoic acid
CID 54867660
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416
2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide
CID 24625565
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 18200777
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51955789
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid (CID 60708185) is 5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid is CC(C)C(NC(=O)CCCC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid?
The InChIKey is ODMDQJUSEYPGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-10(2)15(11-6-8-12(16)9-7-11)17-13(18)4-3-5-14(19)20/h6-10,15H,3-5H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid?
5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 60708185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).