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

C9H13N5O4 — CID 24706822

IUPAC4-methoxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C9H13N5O4/c1-18-6-2-7(9(16)17)14(3-6)8(15)4-13-5-10-11-12-13/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyJHUQLBCFRFVIML-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.63
Rot. Bonds4

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

4-methoxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 24706822) has the molecular formula C9H13N5O4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-methoxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID24706822
Molecular FormulaC9H13N5O4
Molecular Weight255.23 g/mol
Exact Mass255.10
IUPAC Name4-methoxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C9H13N5O4/c1-18-6-2-7(9(16)17)14(3-6)8(15)4-13-5-10-11-12-13/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyJHUQLBCFRFVIML-UHFFFAOYSA-N
XLogP-1.63
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 24706822) is 4-methoxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)Cn2cnnn2)C1.
What is the InChIKey of 4-methoxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JHUQLBCFRFVIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O4/c1-18-6-2-7(9(16)17)14(3-6)8(15)4-13-5-10-11-12-13/h5-7H,2-4H2,1H3,(H,16,17).
What are the key properties of 4-methoxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
4-methoxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of -1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[2-(tetrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24706822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).