2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid

C11H11N5O4 — CID 175080634

IUPAC2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid
SMILESCc1nnnn1CC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C11H11N5O4/c1-6-13-14-15-16(6)5-10(18)12-7-2-3-8(11(19)20)9(17)4-7/h2-4,17H,5H2,1H3,(H,12,18)(H,19,20)
InChIKeySFYIMMDVNIRFQL-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.02
Rot. Bonds4

About 2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid

2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid (PubChem CID 175080634) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid
PubChem CID175080634
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Name2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid
SMILESCc1nnnn1CC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C11H11N5O4/c1-6-13-14-15-16(6)5-10(18)12-7-2-3-8(11(19)20)9(17)4-7/h2-4,17H,5H2,1H3,(H,12,18)(H,19,20)
InChIKeySFYIMMDVNIRFQL-UHFFFAOYSA-N
XLogP0.02
TPSA130.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid (CID 175080634) is 2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid is Cc1nnnn1CC(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid?
The InChIKey is SFYIMMDVNIRFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c1-6-13-14-15-16(6)5-10(18)12-7-2-3-8(11(19)20)9(17)4-7/h2-4,17H,5H2,1H3,(H,12,18)(H,19,20).
What are the key properties of 2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid?
2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid has a molecular weight of 277.24 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 175080634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).