1-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C8H10F3N5O2 — CID 63710885

IUPAC1-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCn1nnnc1N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C8H10F3N5O2/c1-15-6(12-13-14-15)16-3-2-7(4-16,5(17)18)8(9,10)11/h2-4H2,1H3,(H,17,18)
InChIKeyGISOBSCZFLNALQ-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.05
Rot. Bonds2

About 1-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63710885) has the molecular formula C8H10F3N5O2 and a molecular weight of 265.19 g/mol. Its IUPAC name is 1-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63710885
Molecular FormulaC8H10F3N5O2
Molecular Weight265.19 g/mol
Exact Mass265.08
IUPAC Name1-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCn1nnnc1N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C8H10F3N5O2/c1-15-6(12-13-14-15)16-3-2-7(4-16,5(17)18)8(9,10)11/h2-4H2,1H3,(H,17,18)
InChIKeyGISOBSCZFLNALQ-UHFFFAOYSA-N
XLogP0.05
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63710885) is 1-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is Cn1nnnc1N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GISOBSCZFLNALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5O2/c1-15-6(12-13-14-15)16-3-2-7(4-16,5(17)18)8(9,10)11/h2-4H2,1H3,(H,17,18).
What are the key properties of 1-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 265.19 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63710885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).