2-(5-phenylmethoxycarbonyltetrazol-1-yl)acetic acid

C11H10N4O4 — CID 134572568

IUPAC2-(5-phenylmethoxycarbonyltetrazol-1-yl)acetic acid
SMILESO=C(O)Cn1nnnc1C(=O)OCc1ccccc1
InChIInChI=1S/C11H10N4O4/c16-9(17)6-15-10(12-13-14-15)11(18)19-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,16,17)
InChIKeyFXMMVYDSUAEAPO-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.11
Rot. Bonds5

About 2-(5-phenylmethoxycarbonyltetrazol-1-yl)acetic acid

2-(5-phenylmethoxycarbonyltetrazol-1-yl)acetic acid (PubChem CID 134572568) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(5-phenylmethoxycarbonyltetrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-phenylmethoxycarbonyltetrazol-1-yl)acetic acid
PubChem CID134572568
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name2-(5-phenylmethoxycarbonyltetrazol-1-yl)acetic acid
SMILESO=C(O)Cn1nnnc1C(=O)OCc1ccccc1
InChIInChI=1S/C11H10N4O4/c16-9(17)6-15-10(12-13-14-15)11(18)19-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,16,17)
InChIKeyFXMMVYDSUAEAPO-UHFFFAOYSA-N
XLogP0.11
TPSA107.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylmethoxycarbonyltetrazol-1-yl)acetic acid?
The IUPAC name of 2-(5-phenylmethoxycarbonyltetrazol-1-yl)acetic acid (CID 134572568) is 2-(5-phenylmethoxycarbonyltetrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-phenylmethoxycarbonyltetrazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-phenylmethoxycarbonyltetrazol-1-yl)acetic acid is O=C(O)Cn1nnnc1C(=O)OCc1ccccc1.
What is the InChIKey of 2-(5-phenylmethoxycarbonyltetrazol-1-yl)acetic acid?
The InChIKey is FXMMVYDSUAEAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c16-9(17)6-15-10(12-13-14-15)11(18)19-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,16,17).
What are the key properties of 2-(5-phenylmethoxycarbonyltetrazol-1-yl)acetic acid?
2-(5-phenylmethoxycarbonyltetrazol-1-yl)acetic acid has a molecular weight of 262.23 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylmethoxycarbonyltetrazol-1-yl)acetic acid is sourced from PubChem (CID 134572568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).