(2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid

C8H14N4O2 — CID 94969962

IUPAC(2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid
SMILESCc1nnnn1[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C8H14N4O2/c1-5(2)4-7(8(13)14)12-6(3)9-10-11-12/h5,7H,4H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyUQFFCNYMEUKSFF-ZETCQYMHSA-N
MW198.23 g/mol
LogP0.65
Rot. Bonds4

About (2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid

(2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid (PubChem CID 94969962) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is (2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid
PubChem CID94969962
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name(2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid
SMILESCc1nnnn1[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C8H14N4O2/c1-5(2)4-7(8(13)14)12-6(3)9-10-11-12/h5,7H,4H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyUQFFCNYMEUKSFF-ZETCQYMHSA-N
XLogP0.65
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid (CID 94969962) is (2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid is Cc1nnnn1[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid?
The InChIKey is UQFFCNYMEUKSFF-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(2)4-7(8(13)14)12-6(3)9-10-11-12/h5,7H,4H2,1-3H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid?
(2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid has a molecular weight of 198.23 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid is sourced from PubChem (CID 94969962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).