2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid

C16H13N5O3 — CID 772876

IUPAC2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid
SMILESO=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H13N5O3/c22-14(17-13-9-5-4-8-12(13)16(23)24)10-21-19-15(18-20-21)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,22)(H,23,24)
InChIKeyTYNUJHFJHWQSRF-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.68
Rot. Bonds5

About 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid

2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid (PubChem CID 772876) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid
PubChem CID772876
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Name2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid
SMILESO=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H13N5O3/c22-14(17-13-9-5-4-8-12(13)16(23)24)10-21-19-15(18-20-21)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,22)(H,23,24)
InChIKeyTYNUJHFJHWQSRF-UHFFFAOYSA-N
XLogP1.68
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid (CID 772876) is 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid is O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid?
The InChIKey is TYNUJHFJHWQSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c22-14(17-13-9-5-4-8-12(13)16(23)24)10-21-19-15(18-20-21)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,22)(H,23,24).
What are the key properties of 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid?
2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid has a molecular weight of 323.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 772876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).