4-(3-nonyldiazirin-3-yl)butanoic acid

C14H26N2O2 — CID 171522865

IUPAC4-(3-nonyldiazirin-3-yl)butanoic acid
SMILESCCCCCCCCCC1(CCCC(=O)O)N=N1
InChIInChI=1S/C14H26N2O2/c1-2-3-4-5-6-7-8-11-14(15-16-14)12-9-10-13(17)18/h2-12H2,1H3,(H,17,18)
InChIKeyHNPIKAADXJFWFI-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.54
Rot. Bonds12

About 4-(3-nonyldiazirin-3-yl)butanoic acid

4-(3-nonyldiazirin-3-yl)butanoic acid (PubChem CID 171522865) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(3-nonyldiazirin-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-nonyldiazirin-3-yl)butanoic acid
PubChem CID171522865
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-(3-nonyldiazirin-3-yl)butanoic acid
SMILESCCCCCCCCCC1(CCCC(=O)O)N=N1
InChIInChI=1S/C14H26N2O2/c1-2-3-4-5-6-7-8-11-14(15-16-14)12-9-10-13(17)18/h2-12H2,1H3,(H,17,18)
InChIKeyHNPIKAADXJFWFI-UHFFFAOYSA-N
XLogP4.54
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butane;bis(dodecanoic acid)
CID 173065671
CID 87129001
CID 87129001
dodecanoic acid
CID 158187269
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
icosane;pentanoic acid
CID 159151393
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075

Frequently Asked Questions

What is the IUPAC name of 4-(3-nonyldiazirin-3-yl)butanoic acid?
The IUPAC name of 4-(3-nonyldiazirin-3-yl)butanoic acid (CID 171522865) is 4-(3-nonyldiazirin-3-yl)butanoic acid.
What is the SMILES notation for 4-(3-nonyldiazirin-3-yl)butanoic acid?
The canonical SMILES for 4-(3-nonyldiazirin-3-yl)butanoic acid is CCCCCCCCCC1(CCCC(=O)O)N=N1.
What is the InChIKey of 4-(3-nonyldiazirin-3-yl)butanoic acid?
The InChIKey is HNPIKAADXJFWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-3-4-5-6-7-8-11-14(15-16-14)12-9-10-13(17)18/h2-12H2,1H3,(H,17,18).
What are the key properties of 4-(3-nonyldiazirin-3-yl)butanoic acid?
4-(3-nonyldiazirin-3-yl)butanoic acid has a molecular weight of 254.37 g/mol, XLogP of 4.54, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nonyldiazirin-3-yl)butanoic acid is sourced from PubChem (CID 171522865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).