(2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid

C15H16FNO5 — CID 67158341

IUPAC(2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid
SMILESO=C(C[C@@H]1CCCN1C(=O)O)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO5/c16-11-5-3-10(4-6-11)13(18)9-22-14(19)8-12-2-1-7-17(12)15(20)21/h3-6,12H,1-2,7-9H2,(H,20,21)/t12-/m0/s1
InChIKeyNLGZXMWAAYASOV-LBPRGKRZSA-N
MW309.29 g/mol
LogP2.08
Rot. Bonds5

About (2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid

(2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid (PubChem CID 67158341) has the molecular formula C15H16FNO5 and a molecular weight of 309.29 g/mol. Its IUPAC name is (2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid
PubChem CID67158341
Molecular FormulaC15H16FNO5
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name(2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid
SMILESO=C(C[C@@H]1CCCN1C(=O)O)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO5/c16-11-5-3-10(4-6-11)13(18)9-22-14(19)8-12-2-1-7-17(12)15(20)21/h3-6,12H,1-2,7-9H2,(H,20,21)/t12-/m0/s1
InChIKeyNLGZXMWAAYASOV-LBPRGKRZSA-N
XLogP2.08
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid (CID 67158341) is (2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid is O=C(C[C@@H]1CCCN1C(=O)O)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid?
The InChIKey is NLGZXMWAAYASOV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16FNO5/c16-11-5-3-10(4-6-11)13(18)9-22-14(19)8-12-2-1-7-17(12)15(20)21/h3-6,12H,1-2,7-9H2,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid?
(2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid has a molecular weight of 309.29 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]-2-oxoethyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67158341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).