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

C8H13N5O2 — CID 63720874

IUPAC4-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(c2nnnn2C)CC1C(=O)O
InChIInChI=1S/C8H13N5O2/c1-5-3-13(4-6(5)7(14)15)8-9-10-11-12(8)2/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyKGYIBCZOYGOQMI-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.63
Rot. Bonds2

About 4-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid

4-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid (PubChem CID 63720874) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
PubChem CID63720874
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name4-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(c2nnnn2C)CC1C(=O)O
InChIInChI=1S/C8H13N5O2/c1-5-3-13(4-6(5)7(14)15)8-9-10-11-12(8)2/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyKGYIBCZOYGOQMI-UHFFFAOYSA-N
XLogP-0.63
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid (CID 63720874) is 4-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid is CC1CN(c2nnnn2C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is KGYIBCZOYGOQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-5-3-13(4-6(5)7(14)15)8-9-10-11-12(8)2/h5-6H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63720874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).