9-(5-benzhydryltetrazol-1-yl)nonanoic acid

C23H28N4O2 — CID 10385854

IUPAC9-(5-benzhydryltetrazol-1-yl)nonanoic acid
SMILESO=C(O)CCCCCCCCn1nnnc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28N4O2/c28-21(29)17-11-3-1-2-4-12-18-27-23(24-25-26-27)22(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,22H,1-4,11-12,17-18H2,(H,28,29)
InChIKeyGPQSWEADGWXJQE-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.67
Rot. Bonds12

About 9-(5-benzhydryltetrazol-1-yl)nonanoic acid

9-(5-benzhydryltetrazol-1-yl)nonanoic acid (PubChem CID 10385854) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 9-(5-benzhydryltetrazol-1-yl)nonanoic acid.

Molecular Properties

Compound Name9-(5-benzhydryltetrazol-1-yl)nonanoic acid
PubChem CID10385854
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name9-(5-benzhydryltetrazol-1-yl)nonanoic acid
SMILESO=C(O)CCCCCCCCn1nnnc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28N4O2/c28-21(29)17-11-3-1-2-4-12-18-27-23(24-25-26-27)22(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,22H,1-4,11-12,17-18H2,(H,28,29)
InChIKeyGPQSWEADGWXJQE-UHFFFAOYSA-N
XLogP4.67
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Phenyl-4-(tetrazol-1-yl)butanoic acid
CID 4442871
8-(5-Benzhydryltetrazol-2-yl)octanoic acid
CID 10452263
9-(5-Benzhydryltetrazol-2-yl)nonanoic acid
CID 9977838
2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)-3-phenylpropanoic acid
CID 12967958
3-(4-fluorophenyl)-2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propanoic acid
CID 42962342
8-(5-Benzhydryltetrazol-1-yl)octanoic acid
CID 10385001
3-(3-fluorophenyl)-2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propanoic acid
CID 42962345
(3r)-4-(1h-Tetrazol-1-yl)-3-phenylbutanoic acid
CID 715860
3-(4-Methylphenyl)-4-(1h-tetrazol-1-yl)butanoic acid
CID 137331663
3-[[(1-Butyltetrazol-5-yl)-(4-propan-2-ylphenyl)methyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 23827268
3-[[1-(1-Butyltetrazol-5-yl)-2,2-diphenylethyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 24153777
(2S)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoic acid
CID 39870893

Frequently Asked Questions

What is the IUPAC name of 9-(5-benzhydryltetrazol-1-yl)nonanoic acid?
The IUPAC name of 9-(5-benzhydryltetrazol-1-yl)nonanoic acid (CID 10385854) is 9-(5-benzhydryltetrazol-1-yl)nonanoic acid.
What is the SMILES notation for 9-(5-benzhydryltetrazol-1-yl)nonanoic acid?
The canonical SMILES for 9-(5-benzhydryltetrazol-1-yl)nonanoic acid is O=C(O)CCCCCCCCn1nnnc1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 9-(5-benzhydryltetrazol-1-yl)nonanoic acid?
The InChIKey is GPQSWEADGWXJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-21(29)17-11-3-1-2-4-12-18-27-23(24-25-26-27)22(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,22H,1-4,11-12,17-18H2,(H,28,29).
What are the key properties of 9-(5-benzhydryltetrazol-1-yl)nonanoic acid?
9-(5-benzhydryltetrazol-1-yl)nonanoic acid has a molecular weight of 392.50 g/mol, XLogP of 4.67, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-benzhydryltetrazol-1-yl)nonanoic acid is sourced from PubChem (CID 10385854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).