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

C8H13N5O2 — CID 63152308

IUPAC3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCn1nnnc1N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C8H13N5O2/c1-8(6(14)15)3-4-13(5-8)7-9-10-11-12(7)2/h3-5H2,1-2H3,(H,14,15)
InChIKeyQGTRACUMOJOXBT-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.49
Rot. Bonds2

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

3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid (PubChem CID 63152308) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
PubChem CID63152308
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCn1nnnc1N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C8H13N5O2/c1-8(6(14)15)3-4-13(5-8)7-9-10-11-12(7)2/h3-5H2,1-2H3,(H,14,15)
InChIKeyQGTRACUMOJOXBT-UHFFFAOYSA-N
XLogP-0.49
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 ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-Methyltetrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710885
4-[5-(Diethylamino)tetrazol-1-yl]butanoic acid
CID 139677761
4-Ethyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid
CID 55165978
1-(1-Methyltetrazol-5-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55165979
1-[(1-Butyltetrazol-5-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55167123
3-Methyl-1-[(1-propyltetrazol-5-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63148368
4-[Methyl-(1-methyltetrazol-5-yl)amino]butanoic acid
CID 63151938
1-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)pyrrolidine-3-carboxylic acid
CID 63152215
4-Methyl-1-(1-methyltetrazol-5-yl)piperidine-4-carboxylic acid
CID 63152260
3-Ethyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
CID 63152356
4-Methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid
CID 63720874
Methyl 1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylate
CID 78949955

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid (CID 63152308) is 3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid is Cn1nnnc1N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is QGTRACUMOJOXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-8(6(14)15)3-4-13(5-8)7-9-10-11-12(7)2/h3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methyltetrazol-5-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63152308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).