5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid

C10H10N4O5 — CID 84758881

IUPAC5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid
SMILESO=C(O)CCc1nnnn1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C10H10N4O5/c15-9(16)4-3-8-11-12-13-14(8)5-6-1-2-7(19-6)10(17)18/h1-2H,3-5H2,(H,15,16)(H,17,18)
InChIKeyKKCXIOFRQDATNH-UHFFFAOYSA-N
MW266.21 g/mol
LogP0.03
Rot. Bonds6

About 5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid

5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 84758881) has the molecular formula C10H10N4O5 and a molecular weight of 266.21 g/mol. Its IUPAC name is 5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid
PubChem CID84758881
Molecular FormulaC10H10N4O5
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC Name5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid
SMILESO=C(O)CCc1nnnn1Cc1ccc(C(=O)O)o1
InChIInChI=1S/C10H10N4O5/c15-9(16)4-3-8-11-12-13-14(8)5-6-1-2-7(19-6)10(17)18/h1-2H,3-5H2,(H,15,16)(H,17,18)
InChIKeyKKCXIOFRQDATNH-UHFFFAOYSA-N
XLogP0.03
TPSA131.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid (CID 84758881) is 5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid is O=C(O)CCc1nnnn1Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is KKCXIOFRQDATNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O5/c15-9(16)4-3-8-11-12-13-14(8)5-6-1-2-7(19-6)10(17)18/h1-2H,3-5H2,(H,15,16)(H,17,18).
What are the key properties of 5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid?
5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid has a molecular weight of 266.21 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-carboxyethyl)tetrazol-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 84758881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).