3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid

C10H18N4O4 — CID 103160452

IUPAC3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1C(C)(C)OC
InChIInChI=1S/C10H18N4O4/c1-10(2,18-4)9-11-12-13-14(9)6-7(17-3)5-8(15)16/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyOHFGNIKNBJXJPV-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.04
Rot. Bonds7

About 3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid

3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid (PubChem CID 103160452) has the molecular formula C10H18N4O4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid
PubChem CID103160452
Molecular FormulaC10H18N4O4
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC Name3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1C(C)(C)OC
InChIInChI=1S/C10H18N4O4/c1-10(2,18-4)9-11-12-13-14(9)6-7(17-3)5-8(15)16/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyOHFGNIKNBJXJPV-UHFFFAOYSA-N
XLogP0.04
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid
CID 103160471
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-methoxy-4-[5-(methoxymethyl)tetrazol-1-yl]butanoic acid
CID 103160380
4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid
CID 103160438
3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid
CID 103028701
3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid
CID 103160506
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160538
4-[5-(3,5-dichlorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160413
4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160591
4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160348
3-methoxy-4-[5-(2-methylfuran-3-yl)tetrazol-1-yl]butanoic acid
CID 103160595

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid (CID 103160452) is 3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid is COC(CC(=O)O)Cn1nnnc1C(C)(C)OC.
What is the InChIKey of 3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is OHFGNIKNBJXJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4/c1-10(2,18-4)9-11-12-13-14(9)6-7(17-3)5-8(15)16/h7H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid?
3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 258.28 g/mol, XLogP of 0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 103160452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).