2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid

C6H10N4O3 — CID 84759092

IUPAC2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid
SMILESCOCCc1nnnn1CC(=O)O
InChIInChI=1S/C6H10N4O3/c1-13-3-2-5-7-8-9-10(5)4-6(11)12/h2-4H2,1H3,(H,11,12)
InChIKeyFFWXFSULCJNIKP-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.05
Rot. Bonds5

About 2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid

2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid (PubChem CID 84759092) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid
PubChem CID84759092
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid
SMILESCOCCc1nnnn1CC(=O)O
InChIInChI=1S/C6H10N4O3/c1-13-3-2-5-7-8-9-10(5)4-6(11)12/h2-4H2,1H3,(H,11,12)
InChIKeyFFWXFSULCJNIKP-UHFFFAOYSA-N
XLogP-1.05
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(diethylaminomethyl)tetrazol-1-yl]acetic acid
CID 139677811
3-[1-(2-methylprop-2-enyl)tetrazol-5-yl]propanoic acid
CID 84758869
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetic acid;hydrochloride
CID 75357903
2-[5-[2-(3-methylphenyl)ethyl]tetrazol-1-yl]acetic acid
CID 66040764
2-[5-[[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]tetrazol-1-yl]acetic acid
CID 135344240
2-[5-[(2,6-dimethylmorpholin-4-yl)methyl]tetrazol-1-yl]acetic acid;hydrochloride
CID 46736953
2-[5-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanyltetrazol-1-yl]acetic acid
CID 106988381
2-[5-(3-thiophen-2-ylpropyl)tetrazol-1-yl]acetic acid
CID 66042769
2-(5-methylsulfanyltetrazol-1-yl)acetic acid
CID 20670743
2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid
CID 66040568
3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine
CID 82228414
4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline
CID 84759861

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid (CID 84759092) is 2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid is COCCc1nnnn1CC(=O)O.
What is the InChIKey of 2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid?
The InChIKey is FFWXFSULCJNIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-13-3-2-5-7-8-9-10(5)4-6(11)12/h2-4H2,1H3,(H,11,12).
What are the key properties of 2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid?
2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid has a molecular weight of 186.17 g/mol, XLogP of -1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 84759092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).