2-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid

C9H16FNO2 — CID 115017828

IUPAC2-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid
SMILESCC1(F)CCN(C(C)(C)C(=O)O)C1
InChIInChI=1S/C9H16FNO2/c1-8(2,7(12)13)11-5-4-9(3,10)6-11/h4-6H2,1-3H3,(H,12,13)
InChIKeyCRTRLIKCYYYYLL-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.28
Rot. Bonds2

About 2-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid

2-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid (PubChem CID 115017828) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid
PubChem CID115017828
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name2-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid
SMILESCC1(F)CCN(C(C)(C)C(=O)O)C1
InChIInChI=1S/C9H16FNO2/c1-8(2,7(12)13)11-5-4-9(3,10)6-11/h4-6H2,1-3H3,(H,12,13)
InChIKeyCRTRLIKCYYYYLL-UHFFFAOYSA-N
XLogP1.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid (CID 115017828) is 2-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid is CC1(F)CCN(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid?
The InChIKey is CRTRLIKCYYYYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-8(2,7(12)13)11-5-4-9(3,10)6-11/h4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid?
2-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid has a molecular weight of 189.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 115017828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).