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

C11H19N5O2 — CID 63148368

IUPAC3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCCn1nnnc1CN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H19N5O2/c1-3-5-16-9(12-13-14-16)7-15-6-4-11(2,8-15)10(17)18/h3-8H2,1-2H3,(H,17,18)
InChIKeyQMMDUZSZUNDOSA-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.38
Rot. Bonds5

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

3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 63148368) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID63148368
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCCn1nnnc1CN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H19N5O2/c1-3-5-16-9(12-13-14-16)7-15-6-4-11(2,8-15)10(17)18/h3-8H2,1-2H3,(H,17,18)
InChIKeyQMMDUZSZUNDOSA-UHFFFAOYSA-N
XLogP0.38
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid (CID 63148368) is 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid is CCCn1nnnc1CN1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QMMDUZSZUNDOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-5-16-9(12-13-14-16)7-15-6-4-11(2,8-15)10(17)18/h3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 253.31 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).