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

C13H20N4O3 — CID 82002630

IUPAC3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
SMILESO=C(O)CC(C1CC1)n1nnnc1CCC1CCCO1
InChIInChI=1S/C13H20N4O3/c18-13(19)8-11(9-3-4-9)17-12(14-15-16-17)6-5-10-2-1-7-20-10/h9-11H,1-8H2,(H,18,19)
InChIKeyJCLUUWPXXMHCHT-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.21
Rot. Bonds7

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

3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid (PubChem CID 82002630) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
PubChem CID82002630
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
SMILESO=C(O)CC(C1CC1)n1nnnc1CCC1CCCO1
InChIInChI=1S/C13H20N4O3/c18-13(19)8-11(9-3-4-9)17-12(14-15-16-17)6-5-10-2-1-7-20-10/h9-11H,1-8H2,(H,18,19)
InChIKeyJCLUUWPXXMHCHT-UHFFFAOYSA-N
XLogP1.21
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid
CID 82003198
2-methyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid
CID 66046978
3-(5-cyclohexyltetrazol-1-yl)-3-cyclopropylpropanoic acid
CID 82002908
3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid
CID 103160509
3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid
CID 82002253
3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
CID 81362728
3-[2-(oxan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 63953397
3-cyclopropyl-3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]propanoic acid
CID 104643324
5-[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]pentanoic acid
CID 113424609
3-[[5-(2-cyclopentylethyl)tetrazol-1-yl]methyl]pentanoic acid
CID 81070222
ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate
CID 79318250
3-[5-(cycloheptylmethyl)tetrazol-1-yl]hexanoic acid
CID 114459357

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid (CID 82002630) is 3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid is O=C(O)CC(C1CC1)n1nnnc1CCC1CCCO1.
What is the InChIKey of 3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
The InChIKey is JCLUUWPXXMHCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c18-13(19)8-11(9-3-4-9)17-12(14-15-16-17)6-5-10-2-1-7-20-10/h9-11H,1-8H2,(H,18,19).
What are the key properties of 3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid?
3-cyclopropyl-3-[5-[2-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid has a molecular weight of 280.33 g/mol, XLogP of 1.21, 7 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-(oxolan-2-yl)ethyl]tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 82002630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).