2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid

C12H10N8O4 — CID 132537677

IUPAC2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2cccc(-c3nnn(CC(=O)O)n3)c2)n1
InChIInChI=1S/C12H10N8O4/c21-9(22)5-19-15-11(13-17-19)7-2-1-3-8(4-7)12-14-18-20(16-12)6-10(23)24/h1-4H,5-6H2,(H,21,22)(H,23,24)
InChIKeyNVQNKSFJSCQJOG-UHFFFAOYSA-N
MW330.26 g/mol
LogP-0.84
Rot. Bonds6

About 2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid

2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid (PubChem CID 132537677) has the molecular formula C12H10N8O4 and a molecular weight of 330.26 g/mol. Its IUPAC name is 2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
PubChem CID132537677
Molecular FormulaC12H10N8O4
Molecular Weight330.26 g/mol
Exact Mass330.08
IUPAC Name2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2cccc(-c3nnn(CC(=O)O)n3)c2)n1
InChIInChI=1S/C12H10N8O4/c21-9(22)5-19-15-11(13-17-19)7-2-1-3-8(4-7)12-14-18-20(16-12)6-10(23)24/h1-4H,5-6H2,(H,21,22)(H,23,24)
InChIKeyNVQNKSFJSCQJOG-UHFFFAOYSA-N
XLogP-0.84
TPSA161.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
2-[5-(3-azidophenyl)tetrazol-2-yl]acetic acid
CID 169326686
2-[5-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]tetrazol-2-yl]acetic acid
CID 168606054
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
2-[5-[3-[(2-cyanoacetyl)amino]phenyl]tetrazol-2-yl]acetic acid
CID 168524333
2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]prop-2-enoic acid
CID 144719815
1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
CID 8676792
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158
2-(5-bromopentyl)-5-[3-[2-(5-bromopentyl)tetrazol-5-yl]phenyl]tetrazole
CID 10625565
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634196
2-[5-[5-[1-[(3-bromophenyl)methyl]triazol-4-yl]-3-pyridinyl]tetrazol-2-yl]acetic acid
CID 58318577

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid (CID 132537677) is 2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid is O=C(O)Cn1nnc(-c2cccc(-c3nnn(CC(=O)O)n3)c2)n1.
What is the InChIKey of 2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid?
The InChIKey is NVQNKSFJSCQJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N8O4/c21-9(22)5-19-15-11(13-17-19)7-2-1-3-8(4-7)12-14-18-20(16-12)6-10(23)24/h1-4H,5-6H2,(H,21,22)(H,23,24).
What are the key properties of 2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid?
2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid has a molecular weight of 330.26 g/mol, XLogP of -0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 132537677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).