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

C10H18FNO3 — CID 153412221

IUPAC2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid
SMILESCC(C)N1CC(F)C(COCC(=O)O)C1
InChIInChI=1S/C10H18FNO3/c1-7(2)12-3-8(9(11)4-12)5-15-6-10(13)14/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyQTWUELMZTJLFQT-UHFFFAOYSA-N
MW219.26 g/mol
LogP0.77
Rot. Bonds5

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

2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid (PubChem CID 153412221) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid
PubChem CID153412221
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Name2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid
SMILESCC(C)N1CC(F)C(COCC(=O)O)C1
InChIInChI=1S/C10H18FNO3/c1-7(2)12-3-8(9(11)4-12)5-15-6-10(13)14/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyQTWUELMZTJLFQT-UHFFFAOYSA-N
XLogP0.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.77
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-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid?
The IUPAC name of 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid (CID 153412221) is 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid is CC(C)N1CC(F)C(COCC(=O)O)C1.
What is the InChIKey of 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid?
The InChIKey is QTWUELMZTJLFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-7(2)12-3-8(9(11)4-12)5-15-6-10(13)14/h7-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid?
2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid has a molecular weight of 219.26 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid is sourced from PubChem (CID 153412221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).