(2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid

C12H12FNO3 — CID 3042461

IUPAC(2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C12H12FNO3/c13-9-3-1-8(2-4-9)7-14-10(12(16)17)5-6-11(14)15/h1-4,10H,5-7H2,(H,16,17)/t10-/m0/s1
InChIKeyHVGUBDIPIWRNTI-JTQLQIEISA-N
MW237.23 g/mol
LogP1.40
Rot. Bonds3

About (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid

(2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 3042461) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID3042461
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name(2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C12H12FNO3/c13-9-3-1-8(2-4-9)7-14-10(12(16)17)5-6-11(14)15/h1-4,10H,5-7H2,(H,16,17)/t10-/m0/s1
InChIKeyHVGUBDIPIWRNTI-JTQLQIEISA-N
XLogP1.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid (CID 3042461) is (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is HVGUBDIPIWRNTI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12FNO3/c13-9-3-1-8(2-4-9)7-14-10(12(16)17)5-6-11(14)15/h1-4,10H,5-7H2,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
(2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 237.23 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3042461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).