1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid

C7H10FNO3 — CID 83193064

IUPAC1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CCF)C1
InChIInChI=1S/C7H10FNO3/c8-1-2-9-4-5(7(11)12)3-6(9)10/h5H,1-4H2,(H,11,12)
InChIKeySNLBTJSDSDOFCU-UHFFFAOYSA-N
MW175.16 g/mol
LogP-0.11
Rot. Bonds3

About 1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 83193064) has the molecular formula C7H10FNO3 and a molecular weight of 175.16 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID83193064
Molecular FormulaC7H10FNO3
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Name1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CCF)C1
InChIInChI=1S/C7H10FNO3/c8-1-2-9-4-5(7(11)12)3-6(9)10/h5H,1-4H2,(H,11,12)
InChIKeySNLBTJSDSDOFCU-UHFFFAOYSA-N
XLogP-0.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid (CID 83193064) is 1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(CCF)C1.
What is the InChIKey of 1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is SNLBTJSDSDOFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO3/c8-1-2-9-4-5(7(11)12)3-6(9)10/h5H,1-4H2,(H,11,12).
What are the key properties of 1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 175.16 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83193064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).