4-(3-fluorophenoxy)-2-(methylamino)butanoic acid

C11H14FNO3 — CID 63040093

IUPAC4-(3-fluorophenoxy)-2-(methylamino)butanoic acid
SMILESCNC(CCOc1cccc(F)c1)C(=O)O
InChIInChI=1S/C11H14FNO3/c1-13-10(11(14)15)5-6-16-9-4-2-3-8(12)7-9/h2-4,7,10,13H,5-6H2,1H3,(H,14,15)
InChIKeyRXNWBTTVZCJOAU-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.27
Rot. Bonds6

About 4-(3-fluorophenoxy)-2-(methylamino)butanoic acid

4-(3-fluorophenoxy)-2-(methylamino)butanoic acid (PubChem CID 63040093) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-2-(methylamino)butanoic acid
PubChem CID63040093
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name4-(3-fluorophenoxy)-2-(methylamino)butanoic acid
SMILESCNC(CCOc1cccc(F)c1)C(=O)O
InChIInChI=1S/C11H14FNO3/c1-13-10(11(14)15)5-6-16-9-4-2-3-8(12)7-9/h2-4,7,10,13H,5-6H2,1H3,(H,14,15)
InChIKeyRXNWBTTVZCJOAU-UHFFFAOYSA-N
XLogP1.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(3-fluorophenoxy)-2-(methylamino)butanoate
CID 63040092
2-amino-4-(3-fluorophenoxy)butanoic acid
CID 63039916
2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 62478241
(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107563444
7-(3-fluorophenoxy)-2-hydroxyheptanoic acid
CID 66822207
(2S)-2-[[2-(3-fluorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 114004878
2-(methylamino)-4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
CID 63040113
2-(cyclopropylamino)-4-(3-fluorophenoxy)butanamide
CID 63039927
methyl 4-(3,5-difluorophenoxy)-2-(methylamino)butanoate
CID 63033556
2-(methylamino)-4-(4-propan-2-ylphenoxy)butanoic acid
CID 63038968
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
methyl (2R)-2-(methylamino)-4-phenoxybutanoate
CID 165124826

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-2-(methylamino)butanoic acid?
The IUPAC name of 4-(3-fluorophenoxy)-2-(methylamino)butanoic acid (CID 63040093) is 4-(3-fluorophenoxy)-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-(3-fluorophenoxy)-2-(methylamino)butanoic acid?
The canonical SMILES for 4-(3-fluorophenoxy)-2-(methylamino)butanoic acid is CNC(CCOc1cccc(F)c1)C(=O)O.
What is the InChIKey of 4-(3-fluorophenoxy)-2-(methylamino)butanoic acid?
The InChIKey is RXNWBTTVZCJOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-13-10(11(14)15)5-6-16-9-4-2-3-8(12)7-9/h2-4,7,10,13H,5-6H2,1H3,(H,14,15).
What are the key properties of 4-(3-fluorophenoxy)-2-(methylamino)butanoic acid?
4-(3-fluorophenoxy)-2-(methylamino)butanoic acid has a molecular weight of 227.24 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-2-(methylamino)butanoic acid is sourced from PubChem (CID 63040093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).