3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid

C10H18N4O3 — CID 103028701

IUPAC3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid
SMILESCCC(CC(=O)O)n1nnnc1C(C)(C)OC
InChIInChI=1S/C10H18N4O3/c1-5-7(6-8(15)16)14-9(11-12-13-14)10(2,3)17-4/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyIHDCOGNCOKCMIP-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.98
Rot. Bonds6

About 3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid

3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid (PubChem CID 103028701) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid
PubChem CID103028701
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid
SMILESCCC(CC(=O)O)n1nnnc1C(C)(C)OC
InChIInChI=1S/C10H18N4O3/c1-5-7(6-8(15)16)14-9(11-12-13-14)10(2,3)17-4/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyIHDCOGNCOKCMIP-UHFFFAOYSA-N
XLogP0.98
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid
CID 103160452
3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 103028686
2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 103028689
3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid
CID 107967102
3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid
CID 106864525
3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid
CID 113374865
3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid
CID 114040580
3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid
CID 103160471
3-cyclopropyl-3-[5-(methoxymethyl)tetrazol-1-yl]propanoic acid
CID 82003198
3-cyclopropyl-3-(5-methyltetrazol-1-yl)propanoic acid
CID 82003607
3-[5-(2-bromofuran-3-yl)tetrazol-1-yl]-5,5-dimethylhexanoic acid
CID 106856440
3-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66044352

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid?
The IUPAC name of 3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid (CID 103028701) is 3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid.
What is the SMILES notation for 3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid?
The canonical SMILES for 3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid is CCC(CC(=O)O)n1nnnc1C(C)(C)OC.
What is the InChIKey of 3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid?
The InChIKey is IHDCOGNCOKCMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-5-7(6-8(15)16)14-9(11-12-13-14)10(2,3)17-4/h7H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid?
3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid has a molecular weight of 242.28 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid is sourced from PubChem (CID 103028701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).