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

C8H14N4O4 — CID 103160380

IUPAC3-methoxy-4-[5-(methoxymethyl)tetrazol-1-yl]butanoic acid
SMILESCOCc1nnnn1CC(CC(=O)O)OC
InChIInChI=1S/C8H14N4O4/c1-15-5-7-9-10-11-12(7)4-6(16-2)3-8(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyQWPAATOUHSFQNA-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.69
Rot. Bonds7

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

3-methoxy-4-[5-(methoxymethyl)tetrazol-1-yl]butanoic acid (PubChem CID 103160380) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-methoxy-4-[5-(methoxymethyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[5-(methoxymethyl)tetrazol-1-yl]butanoic acid
PubChem CID103160380
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name3-methoxy-4-[5-(methoxymethyl)tetrazol-1-yl]butanoic acid
SMILESCOCc1nnnn1CC(CC(=O)O)OC
InChIInChI=1S/C8H14N4O4/c1-15-5-7-9-10-11-12(7)4-6(16-2)3-8(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyQWPAATOUHSFQNA-UHFFFAOYSA-N
XLogP-0.69
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(methoxymethyl)tetrazol-1-yl]-3-methylbutanoic acid
CID 81071951
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160538
3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid
CID 103160471
4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid
CID 103160438
3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid
CID 103160452
3-methoxy-4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butanoic acid
CID 103160509
4-[5-(3,5-dichlorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160413
3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid
CID 103160506
4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160348
4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160591
4-[5-(4,5-dimethylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160426
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-(methoxymethyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-methoxy-4-[5-(methoxymethyl)tetrazol-1-yl]butanoic acid (CID 103160380) is 3-methoxy-4-[5-(methoxymethyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[5-(methoxymethyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-methoxy-4-[5-(methoxymethyl)tetrazol-1-yl]butanoic acid is COCc1nnnn1CC(CC(=O)O)OC.
What is the InChIKey of 3-methoxy-4-[5-(methoxymethyl)tetrazol-1-yl]butanoic acid?
The InChIKey is QWPAATOUHSFQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4/c1-15-5-7-9-10-11-12(7)4-6(16-2)3-8(13)14/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-methoxy-4-[5-(methoxymethyl)tetrazol-1-yl]butanoic acid?
3-methoxy-4-[5-(methoxymethyl)tetrazol-1-yl]butanoic acid has a molecular weight of 230.22 g/mol, XLogP of -0.69, 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-(methoxymethyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 103160380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).