1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H16F3N5O2 — CID 63710194

IUPAC1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCCCn1nnnc1CN1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H16F3N5O2/c1-2-4-19-8(15-16-17-19)6-18-5-3-10(7-18,9(20)21)11(12,13)14/h2-7H2,1H3,(H,20,21)
InChIKeyUMXZIFITSUFBAV-UHFFFAOYSA-N
MW307.28 g/mol
LogP0.92
Rot. Bonds5

About 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63710194) has the molecular formula C11H16F3N5O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63710194
Molecular FormulaC11H16F3N5O2
Molecular Weight307.28 g/mol
Exact Mass307.13
IUPAC Name1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCCCn1nnnc1CN1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H16F3N5O2/c1-2-4-19-8(15-16-17-19)6-18-5-3-10(7-18,9(20)21)11(12,13)14/h2-7H2,1H3,(H,20,21)
InChIKeyUMXZIFITSUFBAV-UHFFFAOYSA-N
XLogP0.92
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63710194) is 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CCCn1nnnc1CN1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UMXZIFITSUFBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2/c1-2-4-19-8(15-16-17-19)6-18-5-3-10(7-18,9(20)21)11(12,13)14/h2-7H2,1H3,(H,20,21).
What are the key properties of 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 307.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63710194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).