4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid

C13H16FNO4 — CID 43092345

IUPAC4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)COc1ccccc1F
InChIInChI=1S/C13H16FNO4/c1-15(8-4-7-13(17)18)12(16)9-19-11-6-3-2-5-10(11)14/h2-3,5-6H,4,7-9H2,1H3,(H,17,18)
InChIKeySBXDCPRHEFWTMH-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.53
Rot. Bonds7

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

4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid (PubChem CID 43092345) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid
PubChem CID43092345
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)COc1ccccc1F
InChIInChI=1S/C13H16FNO4/c1-15(8-4-7-13(17)18)12(16)9-19-11-6-3-2-5-10(11)14/h2-3,5-6H,4,7-9H2,1H3,(H,17,18)
InChIKeySBXDCPRHEFWTMH-UHFFFAOYSA-N
XLogP1.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43092346
4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43240316
6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825
methyl 4-[[2-(2,4-difluorophenoxy)acetyl]-methylamino]butanoate
CID 60736752
2-(2-fluorophenoxy)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733468
4-[[2-(2,4-dibromophenoxy)acetyl]-methylamino]butanoic acid
CID 43092375
3-[methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 60988957
4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 82151424
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
4-[methyl-[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 43240315
2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265053

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid (CID 43092345) is 4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)COc1ccccc1F.
What is the InChIKey of 4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid?
The InChIKey is SBXDCPRHEFWTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-15(8-4-7-13(17)18)12(16)9-19-11-6-3-2-5-10(11)14/h2-3,5-6H,4,7-9H2,1H3,(H,17,18).
What are the key properties of 4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid?
4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid has a molecular weight of 269.27 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid is sourced from PubChem (CID 43092345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).