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

C7H11N5O2 — CID 63152215

IUPAC1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCn1nnnc1N1CCC(C(=O)O)C1
InChIInChI=1S/C7H11N5O2/c1-11-7(8-9-10-11)12-3-2-5(4-12)6(13)14/h5H,2-4H2,1H3,(H,13,14)
InChIKeyZTVQHAYCMFKHHB-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.88
Rot. Bonds2

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

1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid (PubChem CID 63152215) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
PubChem CID63152215
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCn1nnnc1N1CCC(C(=O)O)C1
InChIInChI=1S/C7H11N5O2/c1-11-7(8-9-10-11)12-3-2-5(4-12)6(13)14/h5H,2-4H2,1H3,(H,13,14)
InChIKeyZTVQHAYCMFKHHB-UHFFFAOYSA-N
XLogP-0.88
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid (CID 63152215) is 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid is Cn1nnnc1N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is ZTVQHAYCMFKHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c1-11-7(8-9-10-11)12-3-2-5(4-12)6(13)14/h5H,2-4H2,1H3,(H,13,14).
What are the key properties of 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid?
1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 197.20 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63152215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).