3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid

C10H16N4O3 — CID 81070841

IUPAC3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)Cn1nnnc1C1CCCO1
InChIInChI=1S/C10H16N4O3/c1-7(5-9(15)16)6-14-10(11-12-13-14)8-3-2-4-17-8/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyLYORFCMJRFDPNR-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.64
Rot. Bonds5

About 3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid

3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid (PubChem CID 81070841) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid
PubChem CID81070841
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)Cn1nnnc1C1CCCO1
InChIInChI=1S/C10H16N4O3/c1-7(5-9(15)16)6-14-10(11-12-13-14)8-3-2-4-17-8/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyLYORFCMJRFDPNR-UHFFFAOYSA-N
XLogP0.64
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid (CID 81070841) is 3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid is CC(CC(=O)O)Cn1nnnc1C1CCCO1.
What is the InChIKey of 3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is LYORFCMJRFDPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7(5-9(15)16)6-14-10(11-12-13-14)8-3-2-4-17-8/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid?
3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-(oxolan-2-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 81070841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).