5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid

C11H11N5O4 — CID 78980899

IUPAC5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid
SMILESCOc1ccc(NC(=O)Cn2cnnn2)c(C(=O)O)c1
InChIInChI=1S/C11H11N5O4/c1-20-7-2-3-9(8(4-7)11(18)19)13-10(17)5-16-6-12-14-15-16/h2-4,6H,5H2,1H3,(H,13,17)(H,18,19)
InChIKeySHDXZTMTRLPPHN-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.02
Rot. Bonds5

About 5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid

5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid (PubChem CID 78980899) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is 5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid
PubChem CID78980899
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Name5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid
SMILESCOc1ccc(NC(=O)Cn2cnnn2)c(C(=O)O)c1
InChIInChI=1S/C11H11N5O4/c1-20-7-2-3-9(8(4-7)11(18)19)13-10(17)5-16-6-12-14-15-16/h2-4,6H,5H2,1H3,(H,13,17)(H,18,19)
InChIKeySHDXZTMTRLPPHN-UHFFFAOYSA-N
XLogP0.02
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(diethylcarbamoylamino)-5-methoxybenzoic acid
CID 113304987
2-(heptanoylamino)-5-methoxybenzoic acid
CID 115410928
5-methoxy-2-(octanoylamino)benzoic acid
CID 78980039
5-methoxy-2-[(4-methoxy-3-methylbutanoyl)amino]benzoic acid
CID 115410936
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 8873123
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 102801339
5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
CID 578470
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid
CID 115412057
5-methoxy-2-[3-(propan-2-ylamino)propanoylamino]benzoic acid
CID 115411509
N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
CID 107301047
5-methoxy-2-(propylamino)benzoic acid
CID 54594237

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid?
The IUPAC name of 5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid (CID 78980899) is 5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid is COc1ccc(NC(=O)Cn2cnnn2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid?
The InChIKey is SHDXZTMTRLPPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c1-20-7-2-3-9(8(4-7)11(18)19)13-10(17)5-16-6-12-14-15-16/h2-4,6H,5H2,1H3,(H,13,17)(H,18,19).
What are the key properties of 5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid?
5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid has a molecular weight of 277.24 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 78980899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).