2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid

C12H12N4O5 — CID 1134074

IUPAC2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid
SMILESCOC(=O)COc1ccc(-c2nnn(CC(=O)O)n2)cc1
InChIInChI=1S/C12H12N4O5/c1-20-11(19)7-21-9-4-2-8(3-5-9)12-13-15-16(14-12)6-10(17)18/h2-5H,6-7H2,1H3,(H,17,18)
InChIKeyGYXVUEXLRUJFDW-UHFFFAOYSA-N
MW292.25 g/mol
LogP-0.02
Rot. Bonds6

About 2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid

2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid (PubChem CID 1134074) has the molecular formula C12H12N4O5 and a molecular weight of 292.25 g/mol. Its IUPAC name is 2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid
PubChem CID1134074
Molecular FormulaC12H12N4O5
Molecular Weight292.25 g/mol
Exact Mass292.08
IUPAC Name2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid
SMILESCOC(=O)COc1ccc(-c2nnn(CC(=O)O)n2)cc1
InChIInChI=1S/C12H12N4O5/c1-20-11(19)7-21-9-4-2-8(3-5-9)12-13-15-16(14-12)6-10(17)18/h2-5H,6-7H2,1H3,(H,17,18)
InChIKeyGYXVUEXLRUJFDW-UHFFFAOYSA-N
XLogP-0.02
TPSA116.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid
CID 28643089
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate
CID 59205718
methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate
CID 860890
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
CID 860833
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 3188672
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 132537677
[4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride
CID 68860648
2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate
CID 7200380
4-[5-(4-pentoxyphenyl)tetrazol-2-yl]butanoic acid
CID 135209195

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid (CID 1134074) is 2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid is COC(=O)COc1ccc(-c2nnn(CC(=O)O)n2)cc1.
What is the InChIKey of 2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid?
The InChIKey is GYXVUEXLRUJFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O5/c1-20-11(19)7-21-9-4-2-8(3-5-9)12-13-15-16(14-12)6-10(17)18/h2-5H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid?
2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid has a molecular weight of 292.25 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-methoxy-2-oxoethoxy)phenyl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 1134074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).