2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid

C12H20FNO3 — CID 70995658

IUPAC2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CC(CC(C)(C)F)CC1=O
InChIInChI=1S/C12H20FNO3/c1-4-9(11(16)17)14-7-8(5-10(14)15)6-12(2,3)13/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyQYHCVGILSSEEMK-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.84
Rot. Bonds5

About 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid

2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid (PubChem CID 70995658) has the molecular formula C12H20FNO3 and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid
PubChem CID70995658
Molecular FormulaC12H20FNO3
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CC(CC(C)(C)F)CC1=O
InChIInChI=1S/C12H20FNO3/c1-4-9(11(16)17)14-7-8(5-10(14)15)6-12(2,3)13/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyQYHCVGILSSEEMK-UHFFFAOYSA-N
XLogP1.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The IUPAC name of 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid (CID 70995658) is 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The canonical SMILES for 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid is CCC(C(=O)O)N1CC(CC(C)(C)F)CC1=O.
What is the InChIKey of 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid?
The InChIKey is QYHCVGILSSEEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO3/c1-4-9(11(16)17)14-7-8(5-10(14)15)6-12(2,3)13/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid?
2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid has a molecular weight of 245.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 70995658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).