2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid

C12H22N4O3 — CID 103028689

IUPAC2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
SMILESCOC(C)(C)c1nnnn1CC(CC(C)C)C(=O)O
InChIInChI=1S/C12H22N4O3/c1-8(2)6-9(10(17)18)7-16-11(13-14-15-16)12(3,4)19-5/h8-9H,6-7H2,1-5H3,(H,17,18)
InChIKeyNYWWFPWIRRLIDE-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.30
Rot. Bonds7

About 2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid

2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid (PubChem CID 103028689) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
PubChem CID103028689
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
SMILESCOC(C)(C)c1nnnn1CC(CC(C)C)C(=O)O
InChIInChI=1S/C12H22N4O3/c1-8(2)6-9(10(17)18)7-16-11(13-14-15-16)12(3,4)19-5/h8-9H,6-7H2,1-5H3,(H,17,18)
InChIKeyNYWWFPWIRRLIDE-UHFFFAOYSA-N
XLogP1.30
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 103028686
3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid
CID 103160452
2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid
CID 107474996
2-[(5-hexyltetrazol-1-yl)methyl]-4-methylpentanoic acid
CID 114754247
2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 104786748
2-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 103213501
3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid
CID 103028701
4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid
CID 80541585
2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 104643311
2-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 80641921
3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid
CID 103160471
4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid
CID 22243678

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid (CID 103028689) is 2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid is COC(C)(C)c1nnnn1CC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid?
The InChIKey is NYWWFPWIRRLIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-8(2)6-9(10(17)18)7-16-11(13-14-15-16)12(3,4)19-5/h8-9H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid?
2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid has a molecular weight of 270.33 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methoxypropan-2-yl)tetrazol-1-yl]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 103028689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).