3-cyclopropyl-3-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid

C11H16F2N4O3 — CID 103213551

IUPAC3-cyclopropyl-3-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid
SMILESO=C(O)CC(C1CC1)n1nnnc1CCOCC(F)F
InChIInChI=1S/C11H16F2N4O3/c12-9(13)6-20-4-3-10-14-15-16-17(10)8(5-11(18)19)7-1-2-7/h7-9H,1-6H2,(H,18,19)
InChIKeyMUWDVZZBSZQAMC-UHFFFAOYSA-N
MW290.27 g/mol
LogP0.92
Rot. Bonds9

About 3-cyclopropyl-3-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid

3-cyclopropyl-3-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid (PubChem CID 103213551) has the molecular formula C11H16F2N4O3 and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-cyclopropyl-3-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid
PubChem CID103213551
Molecular FormulaC11H16F2N4O3
Molecular Weight290.27 g/mol
Exact Mass290.12
IUPAC Name3-cyclopropyl-3-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid
SMILESO=C(O)CC(C1CC1)n1nnnc1CCOCC(F)F
InChIInChI=1S/C11H16F2N4O3/c12-9(13)6-20-4-3-10-14-15-16-17(10)8(5-11(18)19)7-1-2-7/h7-9H,1-6H2,(H,18,19)
InChIKeyMUWDVZZBSZQAMC-UHFFFAOYSA-N
XLogP0.92
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid (CID 103213551) is 3-cyclopropyl-3-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid is O=C(O)CC(C1CC1)n1nnnc1CCOCC(F)F.
What is the InChIKey of 3-cyclopropyl-3-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid?
The InChIKey is MUWDVZZBSZQAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O3/c12-9(13)6-20-4-3-10-14-15-16-17(10)8(5-11(18)19)7-1-2-7/h7-9H,1-6H2,(H,18,19).
What are the key properties of 3-cyclopropyl-3-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid?
3-cyclopropyl-3-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid has a molecular weight of 290.27 g/mol, XLogP of 0.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 103213551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).