2-[2-[4-(3-aminopropoxy)-3-fluorophenyl]cyclopropyl]acetic acid

C14H18FNO3 — CID 22347560

IUPAC2-[2-[4-(3-aminopropoxy)-3-fluorophenyl]cyclopropyl]acetic acid
SMILESNCCCOc1ccc(C2CC2CC(=O)O)cc1F
InChIInChI=1S/C14H18FNO3/c15-12-7-9(11-6-10(11)8-14(17)18)2-3-13(12)19-5-1-4-16/h2-3,7,10-11H,1,4-6,8,16H2,(H,17,18)
InChIKeyMLBQKENNGNUBGL-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.13
Rot. Bonds7

About 2-[2-[4-(3-aminopropoxy)-3-fluorophenyl]cyclopropyl]acetic acid

2-[2-[4-(3-aminopropoxy)-3-fluorophenyl]cyclopropyl]acetic acid (PubChem CID 22347560) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[2-[4-(3-aminopropoxy)-3-fluorophenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(3-aminopropoxy)-3-fluorophenyl]cyclopropyl]acetic acid
PubChem CID22347560
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[2-[4-(3-aminopropoxy)-3-fluorophenyl]cyclopropyl]acetic acid
SMILESNCCCOc1ccc(C2CC2CC(=O)O)cc1F
InChIInChI=1S/C14H18FNO3/c15-12-7-9(11-6-10(11)8-14(17)18)2-3-13(12)19-5-1-4-16/h2-3,7,10-11H,1,4-6,8,16H2,(H,17,18)
InChIKeyMLBQKENNGNUBGL-UHFFFAOYSA-N
XLogP2.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-aminopropoxy)-3-fluorophenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[2-[4-(3-aminopropoxy)-3-fluorophenyl]cyclopropyl]acetic acid (CID 22347560) is 2-[2-[4-(3-aminopropoxy)-3-fluorophenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[2-[4-(3-aminopropoxy)-3-fluorophenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[2-[4-(3-aminopropoxy)-3-fluorophenyl]cyclopropyl]acetic acid is NCCCOc1ccc(C2CC2CC(=O)O)cc1F.
What is the InChIKey of 2-[2-[4-(3-aminopropoxy)-3-fluorophenyl]cyclopropyl]acetic acid?
The InChIKey is MLBQKENNGNUBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c15-12-7-9(11-6-10(11)8-14(17)18)2-3-13(12)19-5-1-4-16/h2-3,7,10-11H,1,4-6,8,16H2,(H,17,18).
What are the key properties of 2-[2-[4-(3-aminopropoxy)-3-fluorophenyl]cyclopropyl]acetic acid?
2-[2-[4-(3-aminopropoxy)-3-fluorophenyl]cyclopropyl]acetic acid has a molecular weight of 267.30 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-aminopropoxy)-3-fluorophenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 22347560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).