1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid

C11H12N4O3 — CID 113312649

IUPAC1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
SMILESCc1occc1-c1nnnn1CC1(C(=O)O)CC1
InChIInChI=1S/C11H12N4O3/c1-7-8(2-5-18-7)9-12-13-14-15(9)6-11(3-4-11)10(16)17/h2,5H,3-4,6H2,1H3,(H,16,17)
InChIKeyPKAPZTQUZVPJJW-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.11
Rot. Bonds4

About 1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid

1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113312649) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
PubChem CID113312649
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
SMILESCc1occc1-c1nnnn1CC1(C(=O)O)CC1
InChIInChI=1S/C11H12N4O3/c1-7-8(2-5-18-7)9-12-13-14-15(9)6-11(3-4-11)10(16)17/h2,5H,3-4,6H2,1H3,(H,16,17)
InChIKeyPKAPZTQUZVPJJW-UHFFFAOYSA-N
XLogP1.11
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-(2-chlorofuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 106690601
1-[[5-(4-methylphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312688
1-[[5-(3-methylfuran-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437087
1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115451936
1-[[5-(2-methoxy-5-methylphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115452033
2-ethyl-2-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]butanoic acid
CID 115431399
1-[[5-(2-chloro-4-fluorophenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115451940
1-[[5-(2-chlorophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 115434568
1-[[5-(furan-3-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437088
1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447259
1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 115434677
1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115452027

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid (CID 113312649) is 1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid is Cc1occc1-c1nnnn1CC1(C(=O)O)CC1.
What is the InChIKey of 1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is PKAPZTQUZVPJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-7-8(2-5-18-7)9-12-13-14-15(9)6-11(3-4-11)10(16)17/h2,5H,3-4,6H2,1H3,(H,16,17).
What are the key properties of 1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113312649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).