4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid

C15H20FNO4 — CID 60827253

IUPAC4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)COc1cccc(F)c1
InChIInChI=1S/C15H20FNO4/c1-11(2)17(8-4-7-15(19)20)14(18)10-21-13-6-3-5-12(16)9-13/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,19,20)
InChIKeyDQMSKMXQRJTEQB-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.31
Rot. Bonds8

About 4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid

4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid (PubChem CID 60827253) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid
PubChem CID60827253
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)COc1cccc(F)c1
InChIInChI=1S/C15H20FNO4/c1-11(2)17(8-4-7-15(19)20)14(18)10-21-13-6-3-5-12(16)9-13/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,19,20)
InChIKeyDQMSKMXQRJTEQB-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid
CID 43360056
3-[[2-(3,4-dichlorophenoxy)acetyl]-propan-2-ylamino]propanoic acid
CID 60831758
2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 55020988
3-[3-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989974
2-(3-fluorophenoxy)-N-methyl-N-phenylacetamide
CID 78762284
4-[3-(4-fluorophenyl)propanoyl-propan-2-ylamino]butanoic acid
CID 60825387
5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 62032120
2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573280
4-[methyl-[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 43240315
4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60830925
3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid
CID 119206961
N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755450

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid (CID 60827253) is 4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)COc1cccc(F)c1.
What is the InChIKey of 4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid?
The InChIKey is DQMSKMXQRJTEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-11(2)17(8-4-7-15(19)20)14(18)10-21-13-6-3-5-12(16)9-13/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,19,20).
What are the key properties of 4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid?
4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60827253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).