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

C9H15N5O2 — CID 63152356

IUPAC3-ethyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nnnn2C)C1
InChIInChI=1S/C9H15N5O2/c1-3-9(7(15)16)4-5-14(6-9)8-10-11-12-13(8)2/h3-6H2,1-2H3,(H,15,16)
InChIKeyYDUAGUVDYBMZFV-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.10
Rot. Bonds3

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

3-ethyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid (PubChem CID 63152356) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-ethyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
PubChem CID63152356
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name3-ethyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2nnnn2C)C1
InChIInChI=1S/C9H15N5O2/c1-3-9(7(15)16)4-5-14(6-9)8-10-11-12-13(8)2/h3-6H2,1-2H3,(H,15,16)
InChIKeyYDUAGUVDYBMZFV-UHFFFAOYSA-N
XLogP-0.10
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid (CID 63152356) is 3-ethyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(c2nnnn2C)C1.
What is the InChIKey of 3-ethyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is YDUAGUVDYBMZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-3-9(7(15)16)4-5-14(6-9)8-10-11-12-13(8)2/h3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-ethyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63152356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).