4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid

C14H18FNO4 — CID 43360056

IUPAC4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid
SMILESCC(Oc1cccc(F)c1)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C14H18FNO4/c1-10(20-12-6-3-5-11(15)9-12)14(19)16(2)8-4-7-13(17)18/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,17,18)
InChIKeyCFRLYMATXDJSJR-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.92
Rot. Bonds7

About 4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid

4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid (PubChem CID 43360056) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid
PubChem CID43360056
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid
SMILESCC(Oc1cccc(F)c1)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C14H18FNO4/c1-10(20-12-6-3-5-11(15)9-12)14(19)16(2)8-4-7-13(17)18/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,17,18)
InChIKeyCFRLYMATXDJSJR-UHFFFAOYSA-N
XLogP1.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[methyl-[2-(4-methylsulfanylphenoxy)propanoyl]amino]butanoic acid
CID 119173255
3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid
CID 60845409
4-[2-(4-bromophenoxy)propanoyl-methylamino]butanoic acid
CID 43240368
4-[2-(4-tert-butylphenoxy)propanoyl-methylamino]butanoic acid
CID 119172580
2-[2-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 62626189
3-[(3,4-difluorophenyl)methyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid
CID 119208139
4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid
CID 43359977
4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid
CID 60827253
4-[methyl-(2-phenoxy-2-phenylacetyl)amino]butanoic acid
CID 119172841
3-[2-(2-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989857
3-[3-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989974
4-[2-methoxypropanoyl(methyl)amino]butanoic acid
CID 115729894

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid?
The IUPAC name of 4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid (CID 43360056) is 4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid?
The canonical SMILES for 4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid is CC(Oc1cccc(F)c1)C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid?
The InChIKey is CFRLYMATXDJSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-10(20-12-6-3-5-11(15)9-12)14(19)16(2)8-4-7-13(17)18/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid?
4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid has a molecular weight of 283.30 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid is sourced from PubChem (CID 43360056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).