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

C11H10N4O5 — CID 972153

IUPAC2-[5-[4-(carboxymethoxy)phenyl]tetrazol-2-yl]acetic acid
SMILESO=C(O)COc1ccc(-c2nnn(CC(=O)O)n2)cc1
InChIInChI=1S/C11H10N4O5/c16-9(17)5-15-13-11(12-14-15)7-1-3-8(4-2-7)20-6-10(18)19/h1-4H,5-6H2,(H,16,17)(H,18,19)
InChIKeyDTFGQTBOTCNXEC-UHFFFAOYSA-N
MW278.22 g/mol
LogP-0.11
Rot. Bonds6

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

2-[5-[4-(carboxymethoxy)phenyl]tetrazol-2-yl]acetic acid (PubChem CID 972153) has the molecular formula C11H10N4O5 and a molecular weight of 278.22 g/mol. Its IUPAC name is 2-[5-[4-(carboxymethoxy)phenyl]tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[4-(carboxymethoxy)phenyl]tetrazol-2-yl]acetic acid
PubChem CID972153
Molecular FormulaC11H10N4O5
Molecular Weight278.22 g/mol
Exact Mass278.07
IUPAC Name2-[5-[4-(carboxymethoxy)phenyl]tetrazol-2-yl]acetic acid
SMILESO=C(O)COc1ccc(-c2nnn(CC(=O)O)n2)cc1
InChIInChI=1S/C11H10N4O5/c16-9(17)5-15-13-11(12-14-15)7-1-3-8(4-2-7)20-6-10(18)19/h1-4H,5-6H2,(H,16,17)(H,18,19)
InChIKeyDTFGQTBOTCNXEC-UHFFFAOYSA-N
XLogP-0.11
TPSA127.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(carboxymethoxy)phenyl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[4-(carboxymethoxy)phenyl]tetrazol-2-yl]acetic acid (CID 972153) is 2-[5-[4-(carboxymethoxy)phenyl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[4-(carboxymethoxy)phenyl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[4-(carboxymethoxy)phenyl]tetrazol-2-yl]acetic acid is O=C(O)COc1ccc(-c2nnn(CC(=O)O)n2)cc1.
What is the InChIKey of 2-[5-[4-(carboxymethoxy)phenyl]tetrazol-2-yl]acetic acid?
The InChIKey is DTFGQTBOTCNXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5/c16-9(17)5-15-13-11(12-14-15)7-1-3-8(4-2-7)20-6-10(18)19/h1-4H,5-6H2,(H,16,17)(H,18,19).
What are the key properties of 2-[5-[4-(carboxymethoxy)phenyl]tetrazol-2-yl]acetic acid?
2-[5-[4-(carboxymethoxy)phenyl]tetrazol-2-yl]acetic acid has a molecular weight of 278.22 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(carboxymethoxy)phenyl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 972153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).