2-methyl-3-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid

C10H16N4O3 — CID 66044127

IUPAC2-methyl-3-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid
SMILESCC(Cn1nnnc1C1CCOCC1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-7(10(15)16)6-14-9(11-12-13-14)8-2-4-17-5-3-8/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyUYBAHYBVQOZADU-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.29
Rot. Bonds4

About 2-methyl-3-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid

2-methyl-3-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid (PubChem CID 66044127) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methyl-3-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid
PubChem CID66044127
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-methyl-3-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid
SMILESCC(Cn1nnnc1C1CCOCC1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-7(10(15)16)6-14-9(11-12-13-14)8-2-4-17-5-3-8/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyUYBAHYBVQOZADU-UHFFFAOYSA-N
XLogP0.29
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid (CID 66044127) is 2-methyl-3-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid is CC(Cn1nnnc1C1CCOCC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is UYBAHYBVQOZADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7(10(15)16)6-14-9(11-12-13-14)8-2-4-17-5-3-8/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-methyl-3-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid?
2-methyl-3-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-(oxan-4-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66044127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).