3-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid

C9H14N4O3 — CID 66042416

IUPAC3-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nnnc1CC1CCCO1
InChIInChI=1S/C9H14N4O3/c14-9(15)3-4-13-8(10-11-12-13)6-7-2-1-5-16-7/h7H,1-6H2,(H,14,15)
InChIKeyYIHDDAZNKIYUSI-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.13
Rot. Bonds5

About 3-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid

3-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid (PubChem CID 66042416) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid
PubChem CID66042416
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name3-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nnnc1CC1CCCO1
InChIInChI=1S/C9H14N4O3/c14-9(15)3-4-13-8(10-11-12-13)6-7-2-1-5-16-7/h7H,1-6H2,(H,14,15)
InChIKeyYIHDDAZNKIYUSI-UHFFFAOYSA-N
XLogP-0.13
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid (CID 66042416) is 3-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid is O=C(O)CCn1nnnc1CC1CCCO1.
What is the InChIKey of 3-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid?
The InChIKey is YIHDDAZNKIYUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-9(15)3-4-13-8(10-11-12-13)6-7-2-1-5-16-7/h7H,1-6H2,(H,14,15).
What are the key properties of 3-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid?
3-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid has a molecular weight of 226.24 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66042416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).