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

C8H11N5O4 — CID 24704820

IUPAC4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)Cn1cnnn1
InChIInChI=1S/C8H11N5O4/c14-5-1-6(8(16)17)13(2-5)7(15)3-12-4-9-10-11-12/h4-6,14H,1-3H2,(H,16,17)
InChIKeyPBAOMTIJSMJYGF-UHFFFAOYSA-N
MW241.21 g/mol
LogP-2.28
Rot. Bonds3

About 4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 24704820) has the molecular formula C8H11N5O4 and a molecular weight of 241.21 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID24704820
Molecular FormulaC8H11N5O4
Molecular Weight241.21 g/mol
Exact Mass241.08
IUPAC Name4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)Cn1cnnn1
InChIInChI=1S/C8H11N5O4/c14-5-1-6(8(16)17)13(2-5)7(15)3-12-4-9-10-11-12/h4-6,14H,1-3H2,(H,16,17)
InChIKeyPBAOMTIJSMJYGF-UHFFFAOYSA-N
XLogP-2.28
TPSA121.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 24704820) is 4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)Cn1cnnn1.
What is the InChIKey of 4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PBAOMTIJSMJYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O4/c14-5-1-6(8(16)17)13(2-5)7(15)3-12-4-9-10-11-12/h4-6,14H,1-3H2,(H,16,17).
What are the key properties of 4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 241.21 g/mol, XLogP of -2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24704820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).