2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid

C14H18FNO3 — CID 64616475

IUPAC2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CCCOc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO3/c15-12-2-4-13(5-3-12)19-7-1-6-16-9-11(10-16)8-14(17)18/h2-5,11H,1,6-10H2,(H,17,18)
InChIKeyFSPSHLAVQPMOCX-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.00
Rot. Bonds7

About 2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid

2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid (PubChem CID 64616475) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid
PubChem CID64616475
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CCCOc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO3/c15-12-2-4-13(5-3-12)19-7-1-6-16-9-11(10-16)8-14(17)18/h2-5,11H,1,6-10H2,(H,17,18)
InChIKeyFSPSHLAVQPMOCX-UHFFFAOYSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R,4S)-1-[2-(4-fluorophenoxy)ethyl]-4-hydroxypyrrolidin-3-yl]acetic acid
CID 155503784
2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64617332
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64618532
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263845
3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
CID 62217888
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681363
2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid
CID 62689445

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid (CID 64616475) is 2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(CCCOc2ccc(F)cc2)C1.
What is the InChIKey of 2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid?
The InChIKey is FSPSHLAVQPMOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c15-12-2-4-13(5-3-12)19-7-1-6-16-9-11(10-16)8-14(17)18/h2-5,11H,1,6-10H2,(H,17,18).
What are the key properties of 2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid?
2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid has a molecular weight of 267.30 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).