(2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid

C6H10N4O2 — CID 39732347

IUPAC(2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid
SMILESCC(C)[C@@H](C(=O)O)n1cnnn1
InChIInChI=1S/C6H10N4O2/c1-4(2)5(6(11)12)10-3-7-8-9-10/h3-5H,1-2H3,(H,11,12)/t5-/m0/s1
InChIKeyIUNVOZGHQBIRHE-YFKPBYRVSA-N
MW170.17 g/mol
LogP-0.05
Rot. Bonds3

About (2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid

(2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid (PubChem CID 39732347) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is (2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid
PubChem CID39732347
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name(2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid
SMILESCC(C)[C@@H](C(=O)O)n1cnnn1
InChIInChI=1S/C6H10N4O2/c1-4(2)5(6(11)12)10-3-7-8-9-10/h3-5H,1-2H3,(H,11,12)/t5-/m0/s1
InChIKeyIUNVOZGHQBIRHE-YFKPBYRVSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid?
The IUPAC name of (2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid (CID 39732347) is (2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid is CC(C)[C@@H](C(=O)O)n1cnnn1.
What is the InChIKey of (2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid?
The InChIKey is IUNVOZGHQBIRHE-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4(2)5(6(11)12)10-3-7-8-9-10/h3-5H,1-2H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid?
(2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid has a molecular weight of 170.17 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid is sourced from PubChem (CID 39732347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).