2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid

C9H14N4O2 — CID 107045181

IUPAC2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid
SMILESCn1nnc(CC(C)(C(=O)O)C2CC2)n1
InChIInChI=1S/C9H14N4O2/c1-9(8(14)15,6-3-4-6)5-7-10-12-13(2)11-7/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyKURPEMYWPYIYGT-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.25
Rot. Bonds4

About 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid

2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid (PubChem CID 107045181) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid
PubChem CID107045181
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid
SMILESCn1nnc(CC(C)(C(=O)O)C2CC2)n1
InChIInChI=1S/C9H14N4O2/c1-9(8(14)15,6-3-4-6)5-7-10-12-13(2)11-7/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyKURPEMYWPYIYGT-UHFFFAOYSA-N
XLogP0.25
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid (CID 107045181) is 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid is Cn1nnc(CC(C)(C(=O)O)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid?
The InChIKey is KURPEMYWPYIYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-9(8(14)15,6-3-4-6)5-7-10-12-13(2)11-7/h6H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid?
2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid has a molecular weight of 210.24 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid is sourced from PubChem (CID 107045181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).