4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid

C15H20FNO4 — CID 119173051

IUPAC4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid
SMILESCOc1ccc(CCC(=O)N(C)CCCC(=O)O)cc1F
InChIInChI=1S/C15H20FNO4/c1-17(9-3-4-15(19)20)14(18)8-6-11-5-7-13(21-2)12(16)10-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,19,20)
InChIKeyHXCRMYLFWDNLNR-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.09
Rot. Bonds8

About 4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid

4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid (PubChem CID 119173051) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid
PubChem CID119173051
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid
SMILESCOc1ccc(CCC(=O)N(C)CCCC(=O)O)cc1F
InChIInChI=1S/C15H20FNO4/c1-17(9-3-4-15(19)20)14(18)8-6-11-5-7-13(21-2)12(16)10-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,19,20)
InChIKeyHXCRMYLFWDNLNR-UHFFFAOYSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886057
6-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-6-oxohexanoic acid
CID 60921327
3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
CID 67624266
N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
CID 55897046
4-[3-(4-aminophenyl)propanoyl-methylamino]butanoic acid
CID 115341281
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
4-[[2-(5-chloro-2-methoxyphenyl)acetyl]-methylamino]butanoic acid
CID 43092874
4-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]butanoic acid
CID 115218662
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270
1-(3-fluoro-4-methoxyphenyl)pentan-3-one
CID 43175845
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]propanoate
CID 61031323

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid?
The IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid (CID 119173051) is 4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid?
The canonical SMILES for 4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid is COc1ccc(CCC(=O)N(C)CCCC(=O)O)cc1F.
What is the InChIKey of 4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid?
The InChIKey is HXCRMYLFWDNLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-17(9-3-4-15(19)20)14(18)8-6-11-5-7-13(21-2)12(16)10-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid?
4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid is sourced from PubChem (CID 119173051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).