2-[4-(2-fluorophenoxy)butanoylamino]acetic acid

C12H14FNO4 — CID 110466152

IUPAC2-[4-(2-fluorophenoxy)butanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCCOc1ccccc1F
InChIInChI=1S/C12H14FNO4/c13-9-4-1-2-5-10(9)18-7-3-6-11(15)14-8-12(16)17/h1-2,4-5H,3,6-8H2,(H,14,15)(H,16,17)
InChIKeyDNKQLFAKSSNLQQ-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.19
Rot. Bonds7

About 2-[4-(2-fluorophenoxy)butanoylamino]acetic acid

2-[4-(2-fluorophenoxy)butanoylamino]acetic acid (PubChem CID 110466152) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[4-(2-fluorophenoxy)butanoylamino]acetic acid.

Molecular Properties

Compound Name2-[4-(2-fluorophenoxy)butanoylamino]acetic acid
PubChem CID110466152
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name2-[4-(2-fluorophenoxy)butanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCCOc1ccccc1F
InChIInChI=1S/C12H14FNO4/c13-9-4-1-2-5-10(9)18-7-3-6-11(15)14-8-12(16)17/h1-2,4-5H,3,6-8H2,(H,14,15)(H,16,17)
InChIKeyDNKQLFAKSSNLQQ-UHFFFAOYSA-N
XLogP1.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide
CID 60550880
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
7-(2-fluorophenoxy)-N-hydroxyheptanamide
CID 39357269
N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide
CID 46451984
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide
CID 60549854
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833559
4-(2-fluorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 171138751
4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 171130212
N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
CID 111426079

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenoxy)butanoylamino]acetic acid?
The IUPAC name of 2-[4-(2-fluorophenoxy)butanoylamino]acetic acid (CID 110466152) is 2-[4-(2-fluorophenoxy)butanoylamino]acetic acid.
What is the SMILES notation for 2-[4-(2-fluorophenoxy)butanoylamino]acetic acid?
The canonical SMILES for 2-[4-(2-fluorophenoxy)butanoylamino]acetic acid is O=C(O)CNC(=O)CCCOc1ccccc1F.
What is the InChIKey of 2-[4-(2-fluorophenoxy)butanoylamino]acetic acid?
The InChIKey is DNKQLFAKSSNLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c13-9-4-1-2-5-10(9)18-7-3-6-11(15)14-8-12(16)17/h1-2,4-5H,3,6-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-[4-(2-fluorophenoxy)butanoylamino]acetic acid?
2-[4-(2-fluorophenoxy)butanoylamino]acetic acid has a molecular weight of 255.24 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenoxy)butanoylamino]acetic acid is sourced from PubChem (CID 110466152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).