2-[(4-fluoro-1-methylpyrrolidin-3-yl)methoxy]acetic acid

C8H14FNO3 — CID 134534004

IUPAC2-[(4-fluoro-1-methylpyrrolidin-3-yl)methoxy]acetic acid
SMILESCN1CC(F)C(COCC(=O)O)C1
InChIInChI=1S/C8H14FNO3/c1-10-2-6(7(9)3-10)4-13-5-8(11)12/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyPRSHOYJTSXKPCG-UHFFFAOYSA-N
MW191.20 g/mol
LogP-0.01
Rot. Bonds4

About 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methoxy]acetic acid

2-[(4-fluoro-1-methylpyrrolidin-3-yl)methoxy]acetic acid (PubChem CID 134534004) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-1-methylpyrrolidin-3-yl)methoxy]acetic acid
PubChem CID134534004
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name2-[(4-fluoro-1-methylpyrrolidin-3-yl)methoxy]acetic acid
SMILESCN1CC(F)C(COCC(=O)O)C1
InChIInChI=1S/C8H14FNO3/c1-10-2-6(7(9)3-10)4-13-5-8(11)12/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyPRSHOYJTSXKPCG-UHFFFAOYSA-N
XLogP-0.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methoxy]acetic acid?
The IUPAC name of 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methoxy]acetic acid (CID 134534004) is 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methoxy]acetic acid is CN1CC(F)C(COCC(=O)O)C1.
What is the InChIKey of 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methoxy]acetic acid?
The InChIKey is PRSHOYJTSXKPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-10-2-6(7(9)3-10)4-13-5-8(11)12/h6-7H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methoxy]acetic acid?
2-[(4-fluoro-1-methylpyrrolidin-3-yl)methoxy]acetic acid has a molecular weight of 191.20 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methoxy]acetic acid is sourced from PubChem (CID 134534004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).