4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid

C15H22FNO3 — CID 60833954

IUPAC4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)CCOc1ccc(F)cc1
InChIInChI=1S/C15H22FNO3/c1-12(2)17(9-3-4-15(18)19)10-11-20-14-7-5-13(16)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyVWVFPZZENQNOEY-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.78
Rot. Bonds9

About 4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid

4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid (PubChem CID 60833954) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid
PubChem CID60833954
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)CCOc1ccc(F)cc1
InChIInChI=1S/C15H22FNO3/c1-12(2)17(9-3-4-15(18)19)10-11-20-14-7-5-13(16)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyVWVFPZZENQNOEY-UHFFFAOYSA-N
XLogP2.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]butanoic acid
CID 60833789
4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid
CID 55027827
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
3-[2-(4-cyanophenoxy)ethyl-propan-2-ylamino]propanoic acid
CID 60838663
3-[4-(4-fluorophenoxy)butanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190522
4-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]butanoic acid
CID 60829440
4-[3-[ethyl(propan-2-yl)amino]propoxy]benzoic acid
CID 63068770
3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoic acid
CID 55007792
3-[ethyl-[4-(4-fluorophenoxy)butanoyl]amino]propanoic acid
CID 61006801
3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022201
3-[2-(4-ethoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022768
2-[4-(4-fluorophenoxy)butanoyl-methylamino]propanoic acid
CID 62628008

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid (CID 60833954) is 4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)CCOc1ccc(F)cc1.
What is the InChIKey of 4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid?
The InChIKey is VWVFPZZENQNOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-12(2)17(9-3-4-15(18)19)10-11-20-14-7-5-13(16)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of 4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid?
4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid has a molecular weight of 283.34 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenoxy)ethyl-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60833954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).