2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid

C7H12N4O2 — CID 107045107

IUPAC2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid
SMILESCn1nnc(CC(C)(C)C(=O)O)n1
InChIInChI=1S/C7H12N4O2/c1-7(2,6(12)13)4-5-8-10-11(3)9-5/h4H2,1-3H3,(H,12,13)
InChIKeyOCJNJSMYJUGVHX-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.14
Rot. Bonds3

About 2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid

2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid (PubChem CID 107045107) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid
PubChem CID107045107
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid
SMILESCn1nnc(CC(C)(C)C(=O)O)n1
InChIInChI=1S/C7H12N4O2/c1-7(2,6(12)13)4-5-8-10-11(3)9-5/h4H2,1-3H3,(H,12,13)
InChIKeyOCJNJSMYJUGVHX-UHFFFAOYSA-N
XLogP-0.14
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-difluoro-3-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)propanoic acid
CID 165462088
3-(2-Methyltetrazol-5-yl)propanoic acid
CID 22069179
4-(5-Methyltetrazol-2-yl)butanoic acid
CID 57551000
3-(2-Pentyltetrazol-5-yl)propanoic acid
CID 68892276
3-(2-Ethyltetrazol-5-yl)-2,2-dimethylpentanoic acid
CID 124141007
4-[5-(3,3-Dimethylbutyl)tetrazol-2-yl]-3,3-dimethylbutanoic acid
CID 137475173
2-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)butanoic acid
CID 57355531
3-methyl-3-(1H-1,2,3,4-tetrazol-5-yl)butanoic acid
CID 83635749
3-(2-Methyltetrazol-5-yl)butanoic acid
CID 84653703
2-Methyl-3-(2-methyltetrazol-5-yl)propanoic acid
CID 84653704
3-(2-Propan-2-yltetrazol-5-yl)propanoic acid
CID 84659527
4-Amino-3-(2-methyltetrazol-5-yl)butanoic acid
CID 84659995

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid (CID 107045107) is 2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid is Cn1nnc(CC(C)(C)C(=O)O)n1.
What is the InChIKey of 2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid?
The InChIKey is OCJNJSMYJUGVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-7(2,6(12)13)4-5-8-10-11(3)9-5/h4H2,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid?
2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid has a molecular weight of 184.20 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid is sourced from PubChem (CID 107045107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).