2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid

C8H14FNO3 — CID 167713960

IUPAC2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid
SMILESO=C(O)COCCN1CCC(F)C1
InChIInChI=1S/C8H14FNO3/c9-7-1-2-10(5-7)3-4-13-6-8(11)12/h7H,1-6H2,(H,11,12)
InChIKeyPKFYDPAQSGBMIN-UHFFFAOYSA-N
MW191.20 g/mol
LogP0.13
Rot. Bonds5

About 2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid

2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid (PubChem CID 167713960) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid
PubChem CID167713960
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid
SMILESO=C(O)COCCN1CCC(F)C1
InChIInChI=1S/C8H14FNO3/c9-7-1-2-10(5-7)3-4-13-6-8(11)12/h7H,1-6H2,(H,11,12)
InChIKeyPKFYDPAQSGBMIN-UHFFFAOYSA-N
XLogP0.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 50.13
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-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid
CID 163629544
2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid
CID 176958923
1-(2-ethoxyethyl)-3-fluoropiperidine
CID 177032761
3-[2-(3-fluoropyrrolidin-1-yl)ethoxy]benzoic acid
CID 77441688
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 104564872
5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride
CID 45156784
2-[2-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)ethoxy]acetic acid
CID 142694259
(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine
CID 130667245
2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
CID 67408508
potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate
CID 142317678
2-[1-(3-ethoxypropyl)piperidin-4-yl]oxyacetic acid
CID 65180545
2-[(1-methylpyrrolidin-3-yl)methoxy]acetic acid
CID 66563768

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid (CID 167713960) is 2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid is O=C(O)COCCN1CCC(F)C1.
What is the InChIKey of 2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid?
The InChIKey is PKFYDPAQSGBMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3/c9-7-1-2-10(5-7)3-4-13-6-8(11)12/h7H,1-6H2,(H,11,12).
What are the key properties of 2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid?
2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid has a molecular weight of 191.20 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoropyrrolidin-1-yl)ethoxy]acetic acid is sourced from PubChem (CID 167713960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).