2-(1-nonyltetrazol-5-yl)acetic acid

C12H22N4O2 — CID 162532459

IUPAC2-(1-nonyltetrazol-5-yl)acetic acid
SMILESCCCCCCCCCn1nnnc1CC(=O)O
InChIInChI=1S/C12H22N4O2/c1-2-3-4-5-6-7-8-9-16-11(10-12(17)18)13-14-15-16/h2-10H2,1H3,(H,17,18)
InChIKeyNNPCOZKPNODSQL-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.05
Rot. Bonds10

About 2-(1-nonyltetrazol-5-yl)acetic acid

2-(1-nonyltetrazol-5-yl)acetic acid (PubChem CID 162532459) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(1-nonyltetrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-nonyltetrazol-5-yl)acetic acid
PubChem CID162532459
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-(1-nonyltetrazol-5-yl)acetic acid
SMILESCCCCCCCCCn1nnnc1CC(=O)O
InChIInChI=1S/C12H22N4O2/c1-2-3-4-5-6-7-8-9-16-11(10-12(17)18)13-14-15-16/h2-10H2,1H3,(H,17,18)
InChIKeyNNPCOZKPNODSQL-UHFFFAOYSA-N
XLogP2.05
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.05
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-(1-octadecyltetrazol-5-yl)propanoic acid
CID 162532467
1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole
CID 67260727
3-[(1-butyltetrazol-5-yl)methylsulfanyl]butanoic acid
CID 66137611
5-methyl-1-octyltetrazole
CID 20685309
1-butyl-5-propyltetrazole
CID 69032145
2-[(1-butyltetrazol-5-yl)methyl-methylamino]propanoic acid
CID 62637803
2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid
CID 79809474
5-methyl-1-pentyltetrazole
CID 67274114
2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441929
2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid
CID 43631568
5-(1-chloroethyl)-1-hexyltetrazole
CID 103084541
1-[(1-butyltetrazol-5-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55167123

Frequently Asked Questions

What is the IUPAC name of 2-(1-nonyltetrazol-5-yl)acetic acid?
The IUPAC name of 2-(1-nonyltetrazol-5-yl)acetic acid (CID 162532459) is 2-(1-nonyltetrazol-5-yl)acetic acid.
What is the SMILES notation for 2-(1-nonyltetrazol-5-yl)acetic acid?
The canonical SMILES for 2-(1-nonyltetrazol-5-yl)acetic acid is CCCCCCCCCn1nnnc1CC(=O)O.
What is the InChIKey of 2-(1-nonyltetrazol-5-yl)acetic acid?
The InChIKey is NNPCOZKPNODSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-2-3-4-5-6-7-8-9-16-11(10-12(17)18)13-14-15-16/h2-10H2,1H3,(H,17,18).
What are the key properties of 2-(1-nonyltetrazol-5-yl)acetic acid?
2-(1-nonyltetrazol-5-yl)acetic acid has a molecular weight of 254.33 g/mol, XLogP of 2.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-nonyltetrazol-5-yl)acetic acid is sourced from PubChem (CID 162532459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).