3-fluoro-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-3-carboxylic acid

C14H14FN5O3 — CID 119259550

IUPAC3-fluoro-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C14H14FN5O3/c15-14(13(22)23)5-6-19(8-14)12(21)7-10-1-3-11(4-2-10)20-9-16-17-18-20/h1-4,9H,5-8H2,(H,22,23)
InChIKeyMUXLBQWQTWLWLU-UHFFFAOYSA-N
MW319.30 g/mol
LogP0.23
Rot. Bonds4

About 3-fluoro-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-3-carboxylic acid

3-fluoro-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 119259550) has the molecular formula C14H14FN5O3 and a molecular weight of 319.30 g/mol. Its IUPAC name is 3-fluoro-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-3-carboxylic acid
PubChem CID119259550
Molecular FormulaC14H14FN5O3
Molecular Weight319.30 g/mol
Exact Mass319.11
IUPAC Name3-fluoro-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C14H14FN5O3/c15-14(13(22)23)5-6-19(8-14)12(21)7-10-1-3-11(4-2-10)20-9-16-17-18-20/h1-4,9H,5-8H2,(H,22,23)
InChIKeyMUXLBQWQTWLWLU-UHFFFAOYSA-N
XLogP0.23
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-3-carboxylic acid (CID 119259550) is 3-fluoro-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-3-carboxylic acid is O=C(Cc1ccc(-n2cnnn2)cc1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is MUXLBQWQTWLWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O3/c15-14(13(22)23)5-6-19(8-14)12(21)7-10-1-3-11(4-2-10)20-9-16-17-18-20/h1-4,9H,5-8H2,(H,22,23).
What are the key properties of 3-fluoro-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-3-carboxylic acid?
3-fluoro-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 319.30 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).