4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid

C19H22FNO3 — CID 122045765

IUPAC4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
SMILESCOc1ccc(F)cc1CNC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H22FNO3/c1-24-18-9-7-16(20)12-15(18)13-21-17(8-10-19(22)23)11-14-5-3-2-4-6-14/h2-7,9,12,17,21H,8,10-11,13H2,1H3,(H,22,23)
InChIKeyFPUDOMJEOAKBKT-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.40
Rot. Bonds9

About 4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid

4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid (PubChem CID 122045765) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
PubChem CID122045765
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
SMILESCOc1ccc(F)cc1CNC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H22FNO3/c1-24-18-9-7-16(20)12-15(18)13-21-17(8-10-19(22)23)11-14-5-3-2-4-6-14/h2-7,9,12,17,21H,8,10-11,13H2,1H3,(H,22,23)
InChIKeyFPUDOMJEOAKBKT-UHFFFAOYSA-N
XLogP3.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511898
4-[(2,5-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511984
4-[(3,4-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511858
4-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 122046088
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120511962
4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511981
4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000989
4-[(2-cyclopentyloxyphenyl)methylamino]-5-phenylpentanoic acid
CID 122045704
2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 63261455
4-[(5-fluoro-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 94691306
4-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511969

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid (CID 122045765) is 4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid is COc1ccc(F)cc1CNC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid?
The InChIKey is FPUDOMJEOAKBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-24-18-9-7-16(20)12-15(18)13-21-17(8-10-19(22)23)11-14-5-3-2-4-6-14/h2-7,9,12,17,21H,8,10-11,13H2,1H3,(H,22,23).
What are the key properties of 4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid?
4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid has a molecular weight of 331.39 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122045765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).