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

C6H10N4O2 — CID 84653704

IUPAC2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid
SMILESCC(Cc1nnn(C)n1)C(=O)O
InChIInChI=1S/C6H10N4O2/c1-4(6(11)12)3-5-7-9-10(2)8-5/h4H,3H2,1-2H3,(H,11,12)
InChIKeyKSHVBOZNKRASNY-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.53
Rot. Bonds3

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

2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid (PubChem CID 84653704) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid
PubChem CID84653704
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid
SMILESCC(Cc1nnn(C)n1)C(=O)O
InChIInChI=1S/C6H10N4O2/c1-4(6(11)12)3-5-7-9-10(2)8-5/h4H,3H2,1-2H3,(H,11,12)
InChIKeyKSHVBOZNKRASNY-UHFFFAOYSA-N
XLogP-0.53
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid (CID 84653704) is 2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid is CC(Cc1nnn(C)n1)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid?
The InChIKey is KSHVBOZNKRASNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4(6(11)12)3-5-7-9-10(2)8-5/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid?
2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyltetrazol-5-yl)propanoic acid is sourced from PubChem (CID 84653704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).