1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid

C8H11N5O3 — CID 24703964

IUPAC1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cn1cnnn1
InChIInChI=1S/C8H11N5O3/c14-7(4-12-5-9-10-11-12)13-3-1-2-6(13)8(15)16/h5-6H,1-4H2,(H,15,16)
InChIKeyJSLBTZSLJAOLOB-UHFFFAOYSA-N
MW225.21 g/mol
LogP-1.25
Rot. Bonds3

About 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid

1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 24703964) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID24703964
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC Name1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cn1cnnn1
InChIInChI=1S/C8H11N5O3/c14-7(4-12-5-9-10-11-12)13-3-1-2-6(13)8(15)16/h5-6H,1-4H2,(H,15,16)
InChIKeyJSLBTZSLJAOLOB-UHFFFAOYSA-N
XLogP-1.25
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 24703964) is 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Cn1cnnn1.
What is the InChIKey of 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JSLBTZSLJAOLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c14-7(4-12-5-9-10-11-12)13-3-1-2-6(13)8(15)16/h5-6H,1-4H2,(H,15,16).
What are the key properties of 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 225.21 g/mol, XLogP of -1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24703964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).