2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid

C10H18N4O3 — CID 79789447

IUPAC2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid
SMILESCCOCCc1nnnn1C(C)(CC)C(=O)O
InChIInChI=1S/C10H18N4O3/c1-4-10(3,9(15)16)14-8(11-12-13-14)6-7-17-5-2/h4-7H2,1-3H3,(H,15,16)
InChIKeySQYGGPNEJMHCMR-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.46
Rot. Bonds7

About 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid

2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid (PubChem CID 79789447) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid
PubChem CID79789447
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid
SMILESCCOCCc1nnnn1C(C)(CC)C(=O)O
InChIInChI=1S/C10H18N4O3/c1-4-10(3,9(15)16)14-8(11-12-13-14)6-7-17-5-2/h4-7H2,1-3H3,(H,15,16)
InChIKeySQYGGPNEJMHCMR-UHFFFAOYSA-N
XLogP0.46
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-ethylbutanoic acid
CID 79809905
2-[5-(4-ethoxyphenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 79789895
2-[5-(3,5-difluorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 79788966
2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid
CID 79809215
2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid
CID 79809912
2-[5-(5-bromothiophen-3-yl)tetrazol-1-yl]-2-methylbutanoic acid
CID 107967072
2-(5-heptan-3-yltetrazol-1-yl)-2-methylbutanoic acid
CID 79791413
2-(1-tert-butyltetrazol-5-yl)acetic acid
CID 83876391
2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid
CID 79788961
2-[5-(3-bromo-2-methylphenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 79789196
2-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid
CID 106814863
2-(5-tert-butyltetrazol-1-yl)-2-ethylbutanoic acid
CID 79809910

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid?
The IUPAC name of 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid (CID 79789447) is 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid?
The canonical SMILES for 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid is CCOCCc1nnnn1C(C)(CC)C(=O)O.
What is the InChIKey of 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid?
The InChIKey is SQYGGPNEJMHCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-4-10(3,9(15)16)14-8(11-12-13-14)6-7-17-5-2/h4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid?
2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid has a molecular weight of 242.28 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-ethoxyethyl)tetrazol-1-yl]-2-methylbutanoic acid is sourced from PubChem (CID 79789447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).