4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid

C14H22N4O3 — CID 115440757

IUPAC4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid
SMILESCC1(c2nnnn2CC2(C(=O)O)CCOCC2)CCCC1
InChIInChI=1S/C14H22N4O3/c1-13(4-2-3-5-13)11-15-16-17-18(11)10-14(12(19)20)6-8-21-9-7-14/h2-10H2,1H3,(H,19,20)
InChIKeyAQCVDISNPVAQFV-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.39
Rot. Bonds4

About 4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid

4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid (PubChem CID 115440757) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid
PubChem CID115440757
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid
SMILESCC1(c2nnnn2CC2(C(=O)O)CCOCC2)CCCC1
InChIInChI=1S/C14H22N4O3/c1-13(4-2-3-5-13)11-15-16-17-18(11)10-14(12(19)20)6-8-21-9-7-14/h2-10H2,1H3,(H,19,20)
InChIKeyAQCVDISNPVAQFV-UHFFFAOYSA-N
XLogP1.39
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid (CID 115440757) is 4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid is CC1(c2nnnn2CC2(C(=O)O)CCOCC2)CCCC1.
What is the InChIKey of 4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid?
The InChIKey is AQCVDISNPVAQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-13(4-2-3-5-13)11-15-16-17-18(11)10-14(12(19)20)6-8-21-9-7-14/h2-10H2,1H3,(H,19,20).
What are the key properties of 4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid?
4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid has a molecular weight of 294.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-methylcyclopentyl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 115440757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).