1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylic acid

C16H18FNO3 — CID 18427805

IUPAC1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylic acid
SMILESO=C1CC(C2(C(=O)O)CC(F)C2)CN1Cc1ccccc1
InChIInChI=1S/C16H18FNO3/c17-13-7-16(8-13,15(20)21)12-6-14(19)18(10-12)9-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,20,21)
InChIKeyLQIKBPYBZLAILZ-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.24
Rot. Bonds4

About 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylic acid

1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylic acid (PubChem CID 18427805) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylic acid
PubChem CID18427805
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylic acid
SMILESO=C1CC(C2(C(=O)O)CC(F)C2)CN1Cc1ccccc1
InChIInChI=1S/C16H18FNO3/c17-13-7-16(8-13,15(20)21)12-6-14(19)18(10-12)9-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,20,21)
InChIKeyLQIKBPYBZLAILZ-UHFFFAOYSA-N
XLogP2.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylic acid (CID 18427805) is 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylic acid is O=C1CC(C2(C(=O)O)CC(F)C2)CN1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylic acid?
The InChIKey is LQIKBPYBZLAILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c17-13-7-16(8-13,15(20)21)12-6-14(19)18(10-12)9-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,20,21).
What are the key properties of 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylic acid?
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylic acid has a molecular weight of 291.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-fluorocyclobutane-1-carboxylic acid is sourced from PubChem (CID 18427805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).