2-[(1-tert-butyl-4-fluoropyrrolidin-3-yl)methoxy]acetic acid

C11H20FNO3 — CID 153412250

IUPAC2-[(1-tert-butyl-4-fluoropyrrolidin-3-yl)methoxy]acetic acid
SMILESCC(C)(C)N1CC(F)C(COCC(=O)O)C1
InChIInChI=1S/C11H20FNO3/c1-11(2,3)13-4-8(9(12)5-13)6-16-7-10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyPUPGRUBAJIONSW-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.16
Rot. Bonds4

About 2-[(1-tert-butyl-4-fluoropyrrolidin-3-yl)methoxy]acetic acid

2-[(1-tert-butyl-4-fluoropyrrolidin-3-yl)methoxy]acetic acid (PubChem CID 153412250) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-[(1-tert-butyl-4-fluoropyrrolidin-3-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(1-tert-butyl-4-fluoropyrrolidin-3-yl)methoxy]acetic acid
PubChem CID153412250
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name2-[(1-tert-butyl-4-fluoropyrrolidin-3-yl)methoxy]acetic acid
SMILESCC(C)(C)N1CC(F)C(COCC(=O)O)C1
InChIInChI=1S/C11H20FNO3/c1-11(2,3)13-4-8(9(12)5-13)6-16-7-10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyPUPGRUBAJIONSW-UHFFFAOYSA-N
XLogP1.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butyl-4-fluoropyrrolidin-3-yl)methoxy]acetic acid?
The IUPAC name of 2-[(1-tert-butyl-4-fluoropyrrolidin-3-yl)methoxy]acetic acid (CID 153412250) is 2-[(1-tert-butyl-4-fluoropyrrolidin-3-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(1-tert-butyl-4-fluoropyrrolidin-3-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(1-tert-butyl-4-fluoropyrrolidin-3-yl)methoxy]acetic acid is CC(C)(C)N1CC(F)C(COCC(=O)O)C1.
What is the InChIKey of 2-[(1-tert-butyl-4-fluoropyrrolidin-3-yl)methoxy]acetic acid?
The InChIKey is PUPGRUBAJIONSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-11(2,3)13-4-8(9(12)5-13)6-16-7-10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(1-tert-butyl-4-fluoropyrrolidin-3-yl)methoxy]acetic acid?
2-[(1-tert-butyl-4-fluoropyrrolidin-3-yl)methoxy]acetic acid has a molecular weight of 233.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyl-4-fluoropyrrolidin-3-yl)methoxy]acetic acid is sourced from PubChem (CID 153412250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).